1.0 2010-04-08 22:04:35 UTC 2020-02-24 19:10:08 UTC FDB000491 L-2-Amino-3-(oxalylamino)propanoic acid Isolated from Panax notoginseng (sanchi). L-2-Amino-3-(oxalylamino)propanoic acid is found in tea and grass pea. 2-Amino-3-(oxalylamino)propanoic acid; L-form L-alpha-Amino-beta-oxalylaminopropionic acid L-alpha-Amino-gamma-oxalylaminopropionic acid N3-Oxalyl-L-2,3-diaminopropanoate C5H8N2O5 176.1274 176.043321376 2-amino-3-(carboxyformamido)propanoic acid 2-amino-3-(carboxyformamido)propanoic acid 5302-45-4 NC(CNC(=O)C(O)=O)C(O)=O InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12) NEEQFPMRODQIKX-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 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 Alpha-amino acid Amine Amino acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide logp -3.39 ALOGPS logs -1.09 ALOGPS solubility 1.43e+01 g/l ALOGPS melting_point Mp 206° dec. logp -4.4 ChemAxon pka_strongest_acidic 1.54 ChemAxon pka_strongest_basic 8.5 ChemAxon iupac 2-amino-3-(carboxyformamido)propanoic acid ChemAxon average_mass 176.1274 ChemAxon mono_mass 176.043321376 ChemAxon smiles NC(CNC(=O)C(O)=O)C(O)=O ChemAxon formula C5H8N2O5 ChemAxon inchi InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12) ChemAxon inchikey NEEQFPMRODQIKX-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 25181 Specdb::CMs 41329 Specdb::CMs 136110 Specdb::CMs 143844 Specdb::NmrOneD 158030 Specdb::NmrOneD 158031 Specdb::NmrOneD 158032 Specdb::NmrOneD 158033 Specdb::NmrOneD 158034 Specdb::NmrOneD 158035 Specdb::NmrOneD 158036 Specdb::NmrOneD 158037 Specdb::NmrOneD 158038 Specdb::NmrOneD 158039 Specdb::NmrOneD 158040 Specdb::NmrOneD 158041 Specdb::NmrOneD 158042 Specdb::NmrOneD 158043 Specdb::NmrOneD 158044 Specdb::NmrOneD 158045 Specdb::NmrOneD 158046 Specdb::NmrOneD 158047 Specdb::NmrOneD 158048 Specdb::NmrOneD 158049 Specdb::MsIr 3405 Specdb::MsIr 3406 Specdb::MsIr 3407 Specdb::MsMs 77592 Specdb::MsMs 77593 Specdb::MsMs 77594 Specdb::MsMs 137757 Specdb::MsMs 137758 Specdb::MsMs 137759 Specdb::MsMs 2274588 Specdb::MsMs 2274589 Specdb::MsMs 2274590 Specdb::MsMs 3090518 Specdb::MsMs 3090519 Specdb::MsMs 3090520 HMDB29402 #<Reference:0x000055ce32489170> Black tea Type 1 Grass pea Type 1 specific Lathyrus sativus 3860 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442