1.0 2011-09-21 00:23:02 UTC 2015-10-09 22:32:01 UTC FDB022997 alpha-Hydroxyhippuric acid Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. (PMID 10598689, 6511847, 4077949). It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965) [HMDB] (Benzoylamino)hydroxyacetic acid 2-(Benzoylamino)-2-hydroxyacetate 2-(Benzoylamino)-2-hydroxyacetic acid 2-Benzamidooxyacetate 2-Benzamidooxyacetic acid a-Hydroxybenzoylglycine a-Hydroxyhippuric acid alpha-Hydroxybenzoylglycine alpha-Hydroxyhippuric acid Benzamidohydroxyacetic acid α-hydroxybenzoylglycine C9H9NO4 195.1721 195.053157781 2-hydroxy-2-(phenylformamido)acetic acid α-hydroxybenzoylglycine 16555-77-4 OC(NC(=O)C1=CC=CC=C1)C(O)=O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-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 acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkanolamines Alpha hydroxy acids and derivatives Benzoyl derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alkanolamine Alpha-amino acid or derivatives Alpha-hydroxy acid Aromatic homomonocyclic compound Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Hippuric acid Hydrocarbon derivative Hydroxy acid 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 Secondary carboxylic acid amide N-acyl-amino acid Solid logp 0.02 ALOGPS logs -1.45 ALOGPS solubility 6.98e+00 g/l ALOGPS logp 0.24 ChemAxon pka_strongest_acidic 2.97 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-hydroxy-2-(phenylformamido)acetic acid ChemAxon average_mass 195.1721 ChemAxon mono_mass 195.053157781 ChemAxon smiles OC(NC(=O)C1=CC=CC=C1)C(O)=O ChemAxon formula C9H9NO4 ChemAxon inchi InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) ChemAxon inchikey GCWCVCCEIQXUQU-UHFFFAOYSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 47.32 ChemAxon polarizability 18.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1825 Specdb::CMs 19296 Specdb::CMs 38413 Specdb::CMs 148923 Specdb::MsIr 1765 Specdb::MsIr 1766 Specdb::MsIr 1767 Specdb::NmrOneD 1888 Specdb::NmrOneD 149280 Specdb::NmrOneD 149281 Specdb::NmrOneD 149282 Specdb::NmrOneD 149283 Specdb::NmrOneD 149284 Specdb::NmrOneD 149285 Specdb::NmrOneD 149286 Specdb::NmrOneD 149287 Specdb::NmrOneD 149288 Specdb::NmrOneD 149289 Specdb::NmrOneD 149290 Specdb::NmrOneD 149291 Specdb::NmrOneD 149292 Specdb::NmrOneD 149293 Specdb::NmrOneD 149294 Specdb::NmrOneD 149295 Specdb::NmrOneD 149296 Specdb::NmrOneD 149297 Specdb::NmrOneD 149298 Specdb::NmrOneD 149299 Specdb::MsMs 2101 Specdb::MsMs 2102 Specdb::MsMs 2103 Specdb::MsMs 308872 Specdb::MsMs 308873 Specdb::MsMs 308874 Specdb::MsMs 353167 Specdb::MsMs 353168 Specdb::MsMs 353169 Specdb::MsMs 2235824 Specdb::MsMs 2237569 Specdb::MsMs 2237887 Specdb::MsMs 2239674 Specdb::MsMs 2240036 Specdb::MsMs 2241693 Specdb::MsMs 2242126 Specdb::MsMs 2243730 Specdb::MsMs 2250343 Specdb::MsMs 2252066 Specdb::MsMs 2252576 Specdb::MsMs 2253896 Specdb::MsMs 2254629 Specdb::MsMs 2255956 Specdb::MsMs 2258026 Specdb::MsMs 2473352 HMDB02404 #<Reference:0x000055ce328d65e8> #<Reference:0x000055ce328d6430> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823