1.02011-09-21 01:54:42 UTC2015-07-21 06:59:42 UTCFDB029366p-Methylhippuric acidp-Methylhippuric (p-MHA)acid is the principal metabolite of p-xylene. Most of the p-xylene inhaled by workers will be excreted in urine as p-MHA. [HMDB]((4-methylbenzoyl)amino)acetic acid(4-Methyl-benzoylamino)-acetic acid4-Methylhippate4-Methylhippic acid4-Methylhippuric acidN-(4-Methylbenzoyl)glycineN-(p-toluoyl)-glycineN-(p-toluoyl)glycineP-toluric acidC10H11NO3193.1992193.0738932232-[(4-methylphenyl)formamido]acetic acid[(4-methylphenyl)formamido]acetic acid27115-50-0CC1=CC=C(C=C1)C(=O)NCC(O)=OInChI=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.Hippuric acidsOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivativesAromatic homomonocyclic compoundsBenzoyl derivativesCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesN-acyl-alpha amino acidsOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSecondary carboxylic acid amidesp-ToluamidesAlpha-amino acid or derivativesAromatic homomonocyclic compoundBenzoylCarbonyl groupCarboxamide groupCarboxylic acidCarboxylic acid derivativeHippuric acidHydrocarbon derivativeMonocarboxylic acid or derivativesN-acyl-alpha amino acid or derivativesN-acyl-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundP-toluamideSecondary carboxylic acid amideToluamideTolueneN-acylglycineSolidlogp0.70logs-2.57solubility5.22e-01 g/llogp1.04pka_strongest_acidic3.74pka_strongest_basic-1.2iupac2-[(4-methylphenyl)formamido]acetic acidaverage_mass193.1992mono_mass193.073893223smilesCC1=CC=C(C=C1)C(=O)NCC(O)=OformulaC10H11NO3inchiInChI=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)inchikeyNRSCPTLHWVWLLH-UHFFFAOYSA-Npolar_surface_area66.4refractivity51.16polarizability19.77rotatable_bond_count3acceptor_count3donor_count2physiological_charge-1formal_charge0Specdb::MsIr2892Specdb::MsIr2893Specdb::MsIr2894Specdb::CMs22802Specdb::CMs27221Specdb::CMs40104Specdb::CMs100045Specdb::CMs169831Specdb::MsMs316603Specdb::MsMs316604Specdb::MsMs316605Specdb::MsMs362917Specdb::MsMs362918Specdb::MsMs362919Specdb::MsMs2293404Specdb::MsMs2293405Specdb::MsMs2293406Specdb::MsMs2645703Specdb::MsMs2645704Specdb::MsMs2645705HMDB13292#<Reference:0x00005556763d4290>