1.0 2016-09-30 23:20:14 UTC 2020-04-22 15:16:52 UTC BMDB0006116 BMDB06116 3-Hydroxyhippuric acid 2-[(3-Hydroxyphenyl)formamido]acetic acid 3-Hydroxybenzoylglycine 2-[(3-Hydroxyphenyl)formamido]acetate 3-Hydroxyhippate 3-Hydroxyhippic acid 3-Hydroxyhippurate m-Hydroxyhippurate m-Hydroxyhippuric acid N-m-Hydroxylbenzoylglycine 3-Hydroxyhippuric acid m-Hydroxyhippate m-Hydroxyhippic acid 2-[(3-Hydroxybenzoyl)amino]acetic acid 3'-Hydroxyhippuric acid C9H9NO4 195.1721 195.053157781 2-[(3-hydroxyphenyl)formamido]acetic acid 3-hydroxyhippuric acid 1637-75-8 OC(=O)CNC(=O)C1=CC=CC(O)=C1 InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) XDOFWFNMYJRHEW-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. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Hippuric acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-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 1-hydroxy-4-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 Aromatic homomonocyclic compounds N-acylglycine phenols Solid logp 0.52 ALOGPS logs -1.83 ALOGPS logp 0.22 ChemAxon pka_strongest_acidic 3.25 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-[(3-hydroxyphenyl)formamido]acetic acid ChemAxon average_mass 195.1721 ChemAxon mono_mass 195.053157781 ChemAxon smiles OC(=O)CNC(=O)C1=CC=CC(O)=C1 ChemAxon formula C9H9NO4 ChemAxon inchi InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ChemAxon inchikey XDOFWFNMYJRHEW-UHFFFAOYSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 48.1 ChemAxon polarizability 18.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24673 Specdb::CMs 38959 Specdb::CMs 153817 Specdb::MsIr 2371 Specdb::MsIr 2372 Specdb::MsIr 2373 Specdb::MsMs 95502 Specdb::MsMs 95503 Specdb::MsMs 95504 Specdb::MsMs 159777 Specdb::MsMs 159778 Specdb::MsMs 159779 Specdb::MsMs 2252587 Specdb::MsMs 2254633 Specdb::MsMs 2255949 Specdb::MsMs 2377442 Specdb::MsMs 2377443 Specdb::MsMs 2377444 Specdb::MsMs 2561577 Specdb::MsMs 2561578 Specdb::MsMs 2561579 Specdb::NmrOneD 67752 Specdb::NmrOneD 67753 Specdb::NmrOneD 67754 Specdb::NmrOneD 67755 Specdb::NmrOneD 67756 Specdb::NmrOneD 67757 Specdb::NmrOneD 67758 Specdb::NmrOneD 67759 Specdb::NmrOneD 67760 Specdb::NmrOneD 67761 Specdb::NmrOneD 67762 Specdb::NmrOneD 67763 Specdb::NmrOneD 67764 Specdb::NmrOneD 67765 Specdb::NmrOneD 67766 Specdb::NmrOneD 67767 Specdb::NmrOneD 67768 Specdb::NmrOneD 67769 Specdb::NmrOneD 67770 Specdb::NmrOneD 67771 396603 DB07069 FDB023830 450268 70824 C00052143 Van Brussel, W.; Van Sumere, C. F. N-Acylamino acids and peptides. VI. A simple synthesis of N-acylglycines of the benzoyl and cinnamyl type. Bulletin des Societes Chimiques Belges (1978), 87(10), 791-7.