1.0 2020-04-06 11:54:03 UTC 2020-04-06 23:43:22 UTC FDB111948 Isoleucyl-Valine C11H22N2O3 230.304 230.16304258 2-(2-amino-3-methylpentanamido)-3-methylbutanoic acid 2-(2-amino-3-methylpentanamido)-3-methylbutanoic acid CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O InChI=1S/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16) BCXBIONYYJCSDF-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Isoleucine and derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Valine and derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Isoleucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Valine or derivatives logp -1.07 ALOGPS logs -1.37 ALOGPS solubility 9.89e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 4.06 ChemAxon pka_strongest_basic 8.51 ChemAxon iupac 2-(2-amino-3-methylpentanamido)-3-methylbutanoic acid ChemAxon average_mass 230.304 ChemAxon mono_mass 230.16304258 ChemAxon smiles CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O ChemAxon formula C11H22N2O3 ChemAxon inchi InChI=1S/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16) ChemAxon inchikey BCXBIONYYJCSDF-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 60.39 ChemAxon polarizability 25.15 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23848 Specdb::CMs 40971 Specdb::CMs 126460 Specdb::CMs 165977 Specdb::CMs 916917 Specdb::CMs 916918 Specdb::CMs 916919 Specdb::CMs 916920 Specdb::CMs 916921 Specdb::NmrOneD 106178 Specdb::NmrOneD 106179 Specdb::NmrOneD 106180 Specdb::NmrOneD 106181 Specdb::NmrOneD 106182 Specdb::NmrOneD 106183 Specdb::NmrOneD 106184 Specdb::NmrOneD 106185 Specdb::NmrOneD 106186 Specdb::NmrOneD 106187 Specdb::NmrOneD 106188 Specdb::NmrOneD 106189 Specdb::NmrOneD 106190 Specdb::NmrOneD 106191 Specdb::NmrOneD 106192 Specdb::NmrOneD 106193 Specdb::NmrOneD 106194 Specdb::NmrOneD 106195 Specdb::NmrOneD 106196 Specdb::NmrOneD 106197 Specdb::MsMs 318832 Specdb::MsMs 318833 Specdb::MsMs 318834 Specdb::MsMs 365764 Specdb::MsMs 365765 Specdb::MsMs 365766 Specdb::MsMs 2235273 Specdb::MsMs 2359332 Specdb::MsMs 2359333 Specdb::MsMs 2359334 Specdb::MsMs 2605834 Specdb::MsMs 2605835 Specdb::MsMs 2605836 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 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