1.0 2012-01-20 01:16:40 UTC 2025-11-19 03:00:03 UTC FDB029984 4-Hydroxyhippuric acid A polyphenol metabolite detected in biological fluids [PhenolExplorer] C9H9NO4 195.1721 195.053157781 2-[(4-hydroxyphenyl)formamido]acetic acid [(4-hydroxyphenyl)formamido]acetic acid 2482-25-9 OC(=O)CNC(=O)C1=CC=C(O)C=C1 InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ZMHLUFWWWPBTIU-UHFFFAOYSA-N belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Hippuric acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzoyl derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid or derivatives Aromatic homomonocyclic compound Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Hippuric acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Secondary carboxylic acid amide N-acylglycine logp 0.44 ALOGPS logs -1.87 ALOGPS solubility 2.63e+00 g/l ALOGPS logp 0.22 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2-[(4-hydroxyphenyl)formamido]acetic acid ChemAxon average_mass 195.1721 ChemAxon mono_mass 195.053157781 ChemAxon smiles OC(=O)CNC(=O)C1=CC=C(O)C=C1 ChemAxon formula C9H9NO4 ChemAxon inchi InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ChemAxon inchikey ZMHLUFWWWPBTIU-UHFFFAOYSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 48.1 ChemAxon polarizability 18.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of 4-Hydroxyhippuric Acid SMP0125537 Specdb::MsIr 2925 Specdb::MsIr 2926 Specdb::MsIr 2927 Specdb::CMs 5738 Specdb::CMs 40164 Specdb::CMs 136532 Specdb::CMs 144266 Specdb::MsMs 50628 Specdb::MsMs 50629 Specdb::MsMs 50630 Specdb::MsMs 141927 Specdb::MsMs 141928 Specdb::MsMs 141929 Specdb::MsMs 2240234 Specdb::MsMs 2241462 Specdb::MsMs 2438863 Specdb::MsMs 2438864 Specdb::MsMs 2438865 Specdb::MsMs 2523852 Specdb::MsMs 2523853 Specdb::MsMs 2523854 Specdb::NmrOneD 12022 Specdb::NmrOneD 12023 Specdb::NmrOneD 12024 Specdb::NmrOneD 12025 Specdb::NmrOneD 12026 Specdb::NmrOneD 12027 Specdb::NmrOneD 12028 Specdb::NmrOneD 12029 Specdb::NmrOneD 12030 Specdb::NmrOneD 12031 Specdb::NmrOneD 12032 Specdb::NmrOneD 12033 Specdb::NmrOneD 12034 Specdb::NmrOneD 12035 Specdb::NmrOneD 12036 Specdb::NmrOneD 12037 Specdb::NmrOneD 12038 Specdb::NmrOneD 12039 Specdb::NmrOneD 12040 Specdb::NmrOneD 12041 HMDB0013678