1.0 2010-04-08 22:13:52 UTC 2018-05-29 01:38:12 UTC FDB018689 L-Oxalylalbizziine Isolated from seeds of Acacia catechu (black catechu) L-Oxalylalbizziine Oxalylalbizziine; L-form S-Oxalylalbizziine C6H9N3O6 219.1522 219.049135035 (2S)-2-amino-3-{N-[carboxy(hydroxy)methylidene]-(C-hydroxycarbonimidoyl)amino}propanoic acid (2S)-2-amino-3-{N-[carboxy(hydroxy)methylidene]-(C-hydroxycarbonimidoyl)amino}propanoic acid 99694-81-2 [H][C@](N)(CNC(=O)NC(=O)C(O)=O)C(O)=O InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)/t2-/m0/s1 WLHZKQYVDKRZKW-REOHCLBHSA-N belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. N-carbamoyl-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 Dicarboximides Dicarboxylic acids and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl ureas Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonic acid derivative Carbonyl group Carboxylic acid Dicarboximide Dicarboxylic acid or derivatives Hydrocarbon derivative L-alpha-amino acid N-acyl urea N-carbamoyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Urea Ureide logp -3.19 ALOGPS logs -2.26 ALOGPS solubility 1.19e+00 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 1.39 ChemAxon pka_strongest_basic 9.09 ChemAxon iupac (2S)-2-amino-3-{N-[carboxy(hydroxy)methylidene]-(C-hydroxycarbonimidoyl)amino}propanoic acid ChemAxon average_mass 219.1522 ChemAxon mono_mass 219.049135035 ChemAxon smiles [H][C@](N)(CNC(=O)NC(=O)C(O)=O)C(O)=O ChemAxon formula C6H9N3O6 ChemAxon inchi InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)/t2-/m0/s1 ChemAxon inchikey WLHZKQYVDKRZKW-REOHCLBHSA-N ChemAxon polar_surface_area 165.8 ChemAxon refractivity 44.22 ChemAxon polarizability 18.77 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84681 Specdb::MsMs 84682 Specdb::MsMs 84683 Specdb::MsMs 146580 Specdb::MsMs 146581 Specdb::MsMs 146582 HMDB39164 #<Reference:0x000055ce30d1e670>