1.0 2010-04-08 22:05:17 UTC 2020-02-24 19:10:27 UTC FDB002226 (S)-Isowillardiine From seeds of Pisum sativum (peas). (S)-Isowillardiine is found in pulses and common pea. beta-(2,4-Dihydroxypyrimidin-3-yl)alanine Isowillardiine C7H9N3O4 199.1641 199.059305791 2-amino-3-(2-hydroxy-6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid 2-amino-3-(2-hydroxy-6-oxopyrimidin-1-yl)propanoic acid 21381-33-9 NC(CN1C(O)=NC=CC1=O)C(O)=O InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13) AZSWUZQIIMMKOZ-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 Hydropyrimidines Lactams Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Pyrimidones Ureas Vinylogous amides Alpha-amino acid Amine Amino acid Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrimidine Pyrimidone Urea Vinylogous amide a non-standard α amino acid logp -2.72 ALOGPS logs -1.36 ALOGPS solubility 8.60e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 1.74 ChemAxon pka_strongest_basic 8.84 ChemAxon iupac 2-amino-3-(2-hydroxy-6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid ChemAxon average_mass 199.1641 ChemAxon mono_mass 199.059305791 ChemAxon smiles NC(CN1C(O)=NC=CC1=O)C(O)=O ChemAxon formula C7H9N3O4 ChemAxon inchi InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13) ChemAxon inchikey AZSWUZQIIMMKOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 116.22 ChemAxon refractivity 45.17 ChemAxon polarizability 17.48 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12290 Specdb::CMs 41891 Specdb::CMs 163697 Specdb::MsIr 3895 Specdb::MsIr 3896 Specdb::MsIr 3897 Specdb::MsMs 54573 Specdb::MsMs 54574 Specdb::MsMs 54575 Specdb::MsMs 125601 Specdb::MsMs 125602 Specdb::MsMs 125603 Specdb::MsMs 2331189 Specdb::MsMs 2331190 Specdb::MsMs 2331191 Specdb::MsMs 2631428 Specdb::MsMs 2631429 Specdb::MsMs 2631430 Specdb::NmrOneD 17242 Specdb::NmrOneD 17243 Specdb::NmrOneD 17244 Specdb::NmrOneD 17245 Specdb::NmrOneD 17246 Specdb::NmrOneD 17247 Specdb::NmrOneD 17248 Specdb::NmrOneD 17249 Specdb::NmrOneD 17250 Specdb::NmrOneD 17251 Specdb::NmrOneD 17252 Specdb::NmrOneD 17253 Specdb::NmrOneD 17254 Specdb::NmrOneD 17255 Specdb::NmrOneD 17256 Specdb::NmrOneD 17257 Specdb::NmrOneD 17258 Specdb::NmrOneD 17259 Specdb::NmrOneD 17260 Specdb::NmrOneD 17261 HMDB30376 #<Reference:0x000055ce316c3388> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic