1.0 2020-03-10 17:00:34 UTC 2020-04-22 18:55:49 UTC BMDB0096062 BMDB96062 p-Methylhippuric acid 4-Methylhippuric acid 4-Methylhippate 4-Methylhippic acid p-Methylhippate p-Methylhippic acid Para-methylhippuric acid ((4-Methylbenzoyl)amino)acetic acid (4-Methyl-benzoylamino)-acetic acid N-(4-Methylbenzoyl)glycine N-(P-Toluoyl)-glycine N-(P-Toluoyl)glycine P-Toluric acid C10H11NO3 193.1992 193.073893223 2-[(4-methylphenyl)formamido]acetic acid [(4-methylphenyl)formamido]acetic acid 27115-50-0 CC1=CC=C(C=C1)C(=O)NCC(O)=O InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) NRSCPTLHWVWLLH-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 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 p-Toluamides 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 P-toluamide Secondary carboxylic acid amide Toluamide Toluene Aromatic homomonocyclic compounds N-acylglycine logp 0.70 ALOGPS logs -2.57 ALOGPS logp 1.04 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2-[(4-methylphenyl)formamido]acetic acid ChemAxon average_mass 193.1992 ChemAxon mono_mass 193.073893223 ChemAxon smiles CC1=CC=C(C=C1)C(=O)NCC(O)=O ChemAxon formula C10H11NO3 ChemAxon inchi InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) ChemAxon inchikey NRSCPTLHWVWLLH-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 51.16 ChemAxon polarizability 19.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsIr 2892 Specdb::MsIr 2893 Specdb::MsIr 2894 Specdb::CMs 22802 Specdb::CMs 27221 Specdb::CMs 40104 Specdb::CMs 100045 Specdb::CMs 169831 Specdb::MsMs 316603 Specdb::MsMs 316604 Specdb::MsMs 316605 Specdb::MsMs 362917 Specdb::MsMs 362918 Specdb::MsMs 362919 Specdb::MsMs 2293404 Specdb::MsMs 2293405 Specdb::MsMs 2293406 Specdb::MsMs 2645703 Specdb::MsMs 2645704 Specdb::MsMs 2645705 FDB029366 87986 97479 68552 Methylhippuric acid