1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:21 UTC FDB012674 L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid Amino acid from the roots of pea seedlings (Pisum subspecies). L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses. (Isoxazolin-5-on-2-yl)alanine (S)-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid 2(5H)-Isoxazolepropanoic acid, alpha-amino-5-oxo-, (S)- a-Amino-5-oxo-2(5H)-isoxazolepropanoic acid, 9CI; L-form alpha-amino-5-oxo-(S)-2(5H)-Isoxazolepropanoic acid beta-(Isoxazolin-5-on-2-yl)alanine Bioya C6H8N2O4 172.1387 172.048406754 2-amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)propanoic acid 2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid 59476-61-8 NC(CN1OC(=O)C=C1)C(O)=O InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11) BDHFFHBFJUZSBF-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Vinylogous amides Alpha-amino acid Amine Amino acid Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Isoxazole Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary aliphatic amine Primary amine Vinylogous amide logp -2.56 ALOGPS logs -0.09 ALOGPS solubility 1.41e+02 g/l ALOGPS melting_point Mp 203-205° dec. logp -3.5 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic 9.02 ChemAxon iupac 2-amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)propanoic acid ChemAxon average_mass 172.1387 ChemAxon mono_mass 172.048406754 ChemAxon smiles NC(CN1OC(=O)C=C1)C(O)=O ChemAxon formula C6H8N2O4 ChemAxon inchi InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11) ChemAxon inchikey BDHFFHBFJUZSBF-UHFFFAOYSA-N ChemAxon polar_surface_area 92.86 ChemAxon refractivity 37.75 ChemAxon polarizability 14.98 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16981 Specdb::CMs 43813 Specdb::CMs 130703 Specdb::CMs 138437 Specdb::MsIr 6556 Specdb::MsIr 6557 Specdb::MsIr 6558 Specdb::MsMs 87945 Specdb::MsMs 87946 Specdb::MsMs 87947 Specdb::MsMs 150567 Specdb::MsMs 150568 Specdb::MsMs 150569 Specdb::MsMs 2821155 Specdb::MsMs 2821156 Specdb::MsMs 2821157 Specdb::MsMs 2857113 Specdb::MsMs 2857114 Specdb::MsMs 2857115 Specdb::NmrOneD 125718 Specdb::NmrOneD 125719 Specdb::NmrOneD 125720 Specdb::NmrOneD 125721 Specdb::NmrOneD 125722 Specdb::NmrOneD 125723 Specdb::NmrOneD 125724 Specdb::NmrOneD 125725 Specdb::NmrOneD 125726 Specdb::NmrOneD 125727 Specdb::NmrOneD 125728 Specdb::NmrOneD 125729 Specdb::NmrOneD 125730 Specdb::NmrOneD 125731 Specdb::NmrOneD 125732 Specdb::NmrOneD 125733 Specdb::NmrOneD 125734 Specdb::NmrOneD 125735 Specdb::NmrOneD 125736 Specdb::NmrOneD 125737 HMDB34322 #<Reference:0x000055ce322394d8> Pulses Unknown generic