1.0 2010-04-08 22:13:29 UTC 2019-11-26 03:15:39 UTC FDB018067 L-3-Amino-2-(oxalylamino)propanoic acid Present in seeds of Lathyrus sativus (chickling pea). L-3-Amino-2-(oxalylamino)propanoic acid is found in pulses. 3-Amino-2-(oxalylamino)propanoic acid; L-form 3-amino-N-(Carboxycarbonyl)-L-alanine BOAA L-Alanine, 3-amino-N-(carboxycarbonyl)- Oxalyldiaminopropionic acid C5H8N2O5 176.1274 176.043321376 3-amino-2-(carboxyformamido)propanoic acid 3-amino-2-(carboxyformamido)propanoic acid 61277-72-3 NCC(NC(=O)C(O)=O)C(O)=O InChI=1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12) FNXJKVNOUQAQMB-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Amine Amino acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Hydrocarbon derivative N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide logp -3.38 ALOGPS logs -1.05 ALOGPS solubility 1.57e+01 g/l ALOGPS melting_point Mp 170-172° logp -4.5 ChemAxon pka_strongest_acidic 2.16 ChemAxon pka_strongest_basic 9.28 ChemAxon iupac 3-amino-2-(carboxyformamido)propanoic acid ChemAxon average_mass 176.1274 ChemAxon mono_mass 176.043321376 ChemAxon smiles NCC(NC(=O)C(O)=O)C(O)=O ChemAxon formula C5H8N2O5 ChemAxon inchi InChI=1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12) ChemAxon inchikey FNXJKVNOUQAQMB-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 34.94 ChemAxon polarizability 14.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18503 Specdb::CMs 45966 Specdb::CMs 131021 Specdb::CMs 138755 Specdb::MsMs 102462 Specdb::MsMs 102463 Specdb::MsMs 102464 Specdb::MsMs 168276 Specdb::MsMs 168277 Specdb::MsMs 168278 Specdb::MsMs 2339454 Specdb::MsMs 2339455 Specdb::MsMs 2339456 Specdb::MsMs 2626025 Specdb::MsMs 2626026 Specdb::MsMs 2626027 Specdb::NmrOneD 27842 Specdb::NmrOneD 27843 Specdb::NmrOneD 27844 Specdb::NmrOneD 27845 Specdb::NmrOneD 27846 Specdb::NmrOneD 27847 Specdb::NmrOneD 27848 Specdb::NmrOneD 27849 Specdb::NmrOneD 27850 Specdb::NmrOneD 27851 Specdb::NmrOneD 27852 Specdb::NmrOneD 27853 Specdb::NmrOneD 27854 Specdb::NmrOneD 27855 Specdb::NmrOneD 27856 Specdb::NmrOneD 27857 Specdb::NmrOneD 27858 Specdb::NmrOneD 27859 Specdb::NmrOneD 27860 Specdb::NmrOneD 27861 Specdb::MsIr 7999 Specdb::MsIr 8000 Specdb::MsIr 8001 HMDB38668 #<Reference:0x000055ce319c1030> Pulses Unknown generic