1.0 2016-09-30 22:48:24 UTC 2020-05-11 20:34:27 UTC BMDB0001867 BMDB01867 4-Aminohippuric acid Aminohippuric acid N-(p-Aminobenzoyl)aminoacetic acid N-(p-Aminobenzoyl)glycine N-(Para-aminobenzoyl)glycine p-Aminohippurate PAH Paha Para-aminohippuric acid Paraaminohippuric acid p-Aminohippuric acid Aminohippate Aminohippic acid N-(p-Aminobenzoyl)aminoacetate Para-aminohippate Para-aminohippic acid Paraaminohippate Paraaminohippic acid p-Aminohippate p-Aminohippic acid 4-Aminohippate 4-Aminohippic acid 4-Aminohippurate Aminohippurate Chlorphentermine N-(4-Aminobenzoyl)glycine Nefrotest Para-aminohippurate Aminohippurate sodium Sodium para-aminohippurate Sodium, aminohippurate p Aminohippurate Para-aminohippurate, sodium Para aminohippuric acid 4 Aminohippuric acid Nephrotest Sodium para aminohippurate p Aminohippuric acid 4-Aminohippuric acid C9H10N2O3 194.1873 194.069142196 2-[(4-aminophenyl)formamido]acetic acid aminohippurate 61-78-9 NC1=CC=C(C=C1)C(=O)NCC(O)=O InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) HSMNQINEKMPTIC-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 Amino acids Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary amines Secondary carboxylic acid amides Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminobenzamide Aminobenzoic acid or derivatives Aniline or substituted anilines 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 Primary amine Secondary carboxylic acid amide Aromatic homomonocyclic compounds N-acylglycine Solid melting_point 198.5 °C water_solubility 13 mg/mL logp -0.89 FLECK,C & BRAUNLICH,H (1990) logp 0.00 ALOGPS logs -1.79 ALOGPS logp -1 ChemAxon pka_strongest_acidic 2.7 ChemAxon pka_strongest_basic 4.24 ChemAxon iupac 2-[(4-aminophenyl)formamido]acetic acid ChemAxon average_mass 194.1873 ChemAxon mono_mass 194.069142196 ChemAxon smiles NC1=CC=C(C=C1)C(=O)NCC(O)=O ChemAxon formula C9H10N2O3 ChemAxon inchi InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) ChemAxon inchikey HSMNQINEKMPTIC-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 50.82 ChemAxon polarizability 19.13 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::NmrTwoD 1707 Specdb::CMs 783 Specdb::CMs 8831 Specdb::CMs 29918 Specdb::CMs 30662 Specdb::CMs 38156 Specdb::CMs 132862 Specdb::CMs 140596 Specdb::MsIr 1405 Specdb::MsIr 1406 Specdb::MsIr 1407 Specdb::NmrOneD 1767 Specdb::NmrOneD 148420 Specdb::NmrOneD 148421 Specdb::NmrOneD 148422 Specdb::NmrOneD 148423 Specdb::NmrOneD 148424 Specdb::NmrOneD 148425 Specdb::NmrOneD 148426 Specdb::NmrOneD 148427 Specdb::NmrOneD 148428 Specdb::NmrOneD 148429 Specdb::NmrOneD 148430 Specdb::NmrOneD 148431 Specdb::NmrOneD 148432 Specdb::NmrOneD 148433 Specdb::NmrOneD 148434 Specdb::NmrOneD 148435 Specdb::NmrOneD 148436 Specdb::NmrOneD 148437 Specdb::NmrOneD 148438 Specdb::NmrOneD 148439 Specdb::MsMs 1750 Specdb::MsMs 1751 Specdb::MsMs 1752 Specdb::MsMs 262110 Specdb::MsMs 262111 Specdb::MsMs 262112 Specdb::MsMs 282042 Specdb::MsMs 282043 Specdb::MsMs 282044 Specdb::MsMs 2226543 Specdb::MsMs 2228204 Specdb::MsMs 2228942 Specdb::MsMs 2230477 Specdb::MsMs 2231285 Specdb::MsMs 2232937 Specdb::MsMs 2233592 Specdb::MsMs 2235325 Specdb::MsMs 2258640 Specdb::MsMs 2259942 Specdb::MsMs 3035795 Specdb::MsMs 3035796 Specdb::MsMs 3035797 Specdb::MsMs 3103685 Specdb::MsMs 3103686 Specdb::MsMs 3103687 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Pancreas Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 D06890 2063 FDB022720 DB00345 2148 104011 Aminohippuric_Acid 6359 Barnabei, Ottavio; Cocito, Carlo. Synthesis of p-aminohippuric acid in presence of thyroxine and a hepatic factor. Ricerca sci. (1955), 25 3329-32.