1.0 2011-09-21 00:26:54 UTC 2019-11-26 03:21:08 UTC FDB023248 3-Aminoisobutanoic acid beta-aminoisobutyric acid is the product from the conversion of N-carbamyl-beta-aminoisobutyric acid by the enzyme Beta-ureidopropionase (EC 3.5.1.6), the last step in pyrimidine degradation. Beta-ureidopropionase deficiency is an inborn error of pyrimidine degradation associated with neurological abnormalities (OMIM 606673) [HMDB] (+/-)-3-Amino-2-methylpropanoate (+/-)-3-Amino-2-methylpropanoic acid (+/-)-3-Aminoisobutyric acid (+/-)-b-Aminoisobutyric acid (+/-)-beta-Aminoisobutyric acid 2-(Aminomethyl)propionate 2-(Aminomethyl)propionic acid 2-Methyl-b-alanine 2-Methyl-beta-alanine 2-Methyl-β-alanine 3-amino-2-Methylpropanoate 3-amino-2-Methylpropanoic acid 3-amino-Isobutanoate 3-amino-Isobutanoic acid 3-Aminoisobutanoate 3-Aminoisobutanoic acid 3-Aminoisobutyrate 3-Aminoisobutyric acid a-Methyl-b-alanine alpha-Methyl-beta-alanine b-Aminoisobutyrate b-Aminoisobutyric acid BAIB beta-Aminoisobutyrate beta-Aminoisobutyric acid DL-2-Methyl-b-alanine DL-2-Methyl-beta-alanine DL-3-Amino-2-methylpropionic acid DL-3-Aminoisobutyric acid DL-b-Aminoisobutyrate DL-b-Aminoisobutyric acid DL-beta-Aminoisobutyrate DL-beta-Aminoisobutyric acid DL-β-aminoisobutyrate DL-β-aminoisobutyric acid α-methyl-β-alanine β-aminoisobutyrate β-aminoisobutyric acid C4H9NO2 103.1198 103.063328537 3-amino-2-methylpropanoic acid (+)-β-aminoisobutyric acid 144-90-1 CC(CN)C(O)=O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Beta amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Amine Amino acid Beta amino acid or derivatives Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Amino fatty acids Other amino acids beta-amino acid Solid logp -2.97 ALOGPS logs 0.55 ALOGPS solubility 3.67e+02 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic 10.32 ChemAxon iupac 3-amino-2-methylpropanoic acid ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles CC(CN)C(O)=O ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) ChemAxon inchikey QCHPKSFMDHPSNR-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 25.28 ChemAxon polarizability 10.42 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Pyrimidine Metabolism SMP00046 map00240 Specdb::NmrTwoD 1920 Specdb::CMs 902 Specdb::CMs 963 Specdb::CMs 1138 Specdb::CMs 3247 Specdb::CMs 31487 Specdb::CMs 31488 Specdb::CMs 31489 Specdb::CMs 31788 Specdb::CMs 31789 Specdb::CMs 38673 Specdb::CMs 167770 Specdb::NmrOneD 1985 Specdb::NmrOneD 5054 Specdb::NmrOneD 5055 Specdb::NmrOneD 34922 Specdb::NmrOneD 34923 Specdb::NmrOneD 34924 Specdb::NmrOneD 34925 Specdb::NmrOneD 34926 Specdb::NmrOneD 34927 Specdb::NmrOneD 34928 Specdb::NmrOneD 34929 Specdb::NmrOneD 34930 Specdb::NmrOneD 34931 Specdb::NmrOneD 34932 Specdb::NmrOneD 34933 Specdb::NmrOneD 34934 Specdb::NmrOneD 34935 Specdb::NmrOneD 34936 Specdb::NmrOneD 34937 Specdb::NmrOneD 34938 Specdb::NmrOneD 34939 Specdb::NmrOneD 34940 Specdb::NmrOneD 34941 Specdb::NmrOneD 166620 Specdb::MsMs 2349 Specdb::MsMs 2350 Specdb::MsMs 2351 Specdb::MsMs 5996 Specdb::MsMs 5997 Specdb::MsMs 179769 Specdb::MsMs 179770 Specdb::MsMs 179771 Specdb::MsMs 182103 Specdb::MsMs 182104 Specdb::MsMs 182105 Specdb::MsMs 439229 Specdb::MsMs 440052 Specdb::MsMs 448171 Specdb::MsMs 451884 Specdb::MsMs 2232045 Specdb::MsMs 2236649 Specdb::MsMs 2236739 Specdb::MsMs 2238765 Specdb::MsMs 2238804 Specdb::MsMs 2240783 Specdb::MsMs 2240929 Specdb::MsMs 2242808 Specdb::MsMs 2243013 Specdb::MsMs 2247034 HMDB03911 #<Reference:0x0000561270896448> #<Reference:0x0000561270895958> #<Reference:0x0000561270895458> #<Reference:0x0000561270894d00> #<Reference:0x000056127088fe90> #<Reference:0x000056127088f418> #<Reference:0x000056127088edb0> #<Reference:0x000056127088eab8> #<Reference:0x000056127088e7e8> #<Reference:0x000056127088e590> #<Reference:0x000056127088e310> #<Reference:0x000056127088dfa0> #<Reference:0x000056127088dbe0> #<Reference:0x000056127088d8c0> #<Reference:0x000056127088d668> #<Reference:0x000056127088d438> #<Reference:0x000056127088d118> #<Reference:0x000056127088ce20> #<Reference:0x000056127088c858> #<Reference:0x000056127088c128> #<Reference:0x0000561270887bf0> #<Reference:0x0000561270887290> #<Reference:0x00005612708867c8> #<Reference:0x0000561270886250> #<Reference:0x0000561270885fa8> #<Reference:0x0000561270885d00> #<Reference:0x0000561270885a08> #<Reference:0x0000561270885828> #<Reference:0x0000561270885670> #<Reference:0x0000561270885440> #<Reference:0x0000561270885058> #<Reference:0x0000561270884e00> #<Reference:0x0000561270884ae0> #<Reference:0x0000561270884888> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823