1.0 2011-09-21 01:54:31 UTC 2017-03-11 23:01:05 UTC FDB029355 m-Methylhippuric acid m-Methylhippuric (m-MHA)acid is the principal metabolite of m-xylene. Most of the m-xylene inhaled by workers will be excreted in urine as m-MHA. [HMDB] 3-Methylhippate 3-Methylhippic acid C10H11NO3 193.1992 193.073893223 2-[(3-methylphenyl)formamido]acetic acid [(3-methylphenyl)formamido]acetic acid 27115-49-7 CC1=CC(=CC=C1)C(=O)NCC(O)=O InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YKAKNMHEIJUKEX-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Toluenes Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Toluene N-acylglycine Solid logp 0.69 ALOGPS logs -2.54 ALOGPS solubility 5.61e-01 g/l ALOGPS logp 1.04 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 2-[(3-methylphenyl)formamido]acetic acid ChemAxon average_mass 193.1992 ChemAxon mono_mass 193.073893223 ChemAxon smiles CC1=CC(=CC=C1)C(=O)NCC(O)=O ChemAxon formula C10H11NO3 ChemAxon inchi InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) ChemAxon inchikey YKAKNMHEIJUKEX-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 51.16 ChemAxon polarizability 19.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14426 Specdb::CMs 27220 Specdb::CMs 40094 Specdb::CMs 100043 Specdb::CMs 153846 Specdb::MsIr 2883 Specdb::MsIr 2884 Specdb::MsIr 2885 Specdb::MsMs 297835 Specdb::MsMs 297836 Specdb::MsMs 297837 Specdb::MsMs 339463 Specdb::MsMs 339464 Specdb::MsMs 339465 Specdb::MsMs 2241817 Specdb::MsMs 2244061 Specdb::MsMs 2248209 Specdb::MsMs 2250163 Specdb::MsMs 2252205 Specdb::MsMs 2689055 Specdb::MsMs 2689056 Specdb::MsMs 2689057 Specdb::MsMs 2993528 Specdb::MsMs 2993529 Specdb::MsMs 2993530 HMDB13245 #<Reference:0x000055ce31a58d90>