1.0 2016-09-30 22:39:46 UTC 2020-04-22 15:06:17 UTC BMDB0001005 BMDB01005 (S)-Ureidoglycolic acid (-)-Ureidoglycolate (S)-Ureidoglycolate (-)-Ureidoglycolic acid (S)-[(Aminocarbonyl)amino]hydroxy-acetic acid S-(-)-Ureidoglycolic acid Ureidoglycolate C3H6N2O4 134.0907 134.03275669 (2S)-2-(carbamoylamino)-2-hydroxyacetic acid ureidoglycolate 7424-03-5 NC(=O)N[C@@H](O)C(O)=O InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1 NWZYYCVIOKVTII-SFOWXEAESA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-carbamoyl-alpha amino acids Alkanolamines Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Ureas Aliphatic acyclic compound Alkanolamine Alpha-hydroxy acid Carbonic acid derivative Carbonyl group Carboxylic acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-carbamoyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Urea Aliphatic acyclic compounds ureidoglycolic acid Solid logp -2.06 ALOGPS logs -0.30 ALOGPS logp -2 ChemAxon pka_strongest_acidic 2.94 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac (2S)-2-(carbamoylamino)-2-hydroxyacetic acid ChemAxon average_mass 134.0907 ChemAxon mono_mass 134.03275669 ChemAxon smiles NC(=O)N[C@@H](O)C(O)=O ChemAxon formula C3H6N2O4 ChemAxon inchi InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1 ChemAxon inchikey NWZYYCVIOKVTII-SFOWXEAESA-N ChemAxon polar_surface_area 112.65 ChemAxon refractivity 25.32 ChemAxon polarizability 10.8 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2342 Specdb::CMs 37887 Specdb::CMs 173408 Specdb::MsIr 1031 Specdb::MsIr 1032 Specdb::MsIr 1033 Specdb::NmrOneD 21122 Specdb::NmrOneD 21123 Specdb::NmrOneD 21124 Specdb::NmrOneD 21125 Specdb::NmrOneD 21126 Specdb::NmrOneD 21127 Specdb::NmrOneD 21128 Specdb::NmrOneD 21129 Specdb::NmrOneD 21130 Specdb::NmrOneD 21131 Specdb::NmrOneD 21132 Specdb::NmrOneD 21133 Specdb::NmrOneD 21134 Specdb::NmrOneD 21135 Specdb::NmrOneD 21136 Specdb::NmrOneD 21137 Specdb::NmrOneD 21138 Specdb::NmrOneD 21139 Specdb::NmrOneD 21140 Specdb::NmrOneD 21141 Specdb::MsMs 29192 Specdb::MsMs 29193 Specdb::MsMs 29194 Specdb::MsMs 35750 Specdb::MsMs 35751 Specdb::MsMs 35752 Specdb::MsMs 2360129 Specdb::MsMs 2360130 Specdb::MsMs 2360131 Specdb::MsMs 2606251 Specdb::MsMs 2606252 Specdb::MsMs 2606253 C00603 FDB022364 439269 388403 15412 C00007466 CPD-1091 5935 BMDBP00801 Probable allantoicase Q2KIG4 ALLC Enzyme