1.0 2016-09-30 22:37:39 UTC 2020-04-21 18:20:49 UTC BMDB0000859 BMDB00859 Methylhippuric acid Hippurate methyl ester Hippuric acid methyl ester N-Benzoyl-glycine methyl ester N-Benzoylglycine methyl ester Hippate methyl ester Hippic acid methyl ester Methyl hippuric acid Methylhippate Methylhippic acid Methyl (benzoylamino)acetate Methyl benzoylaminoacetate Methyl benzoylglycinate Methyl N-benzoylglycinate Methyl hippurate C10H11NO3 193.1992 193.073893223 methyl 2-(phenylformamido)acetate methyl (phenylformamido)acetate 1205-08-9 COC(=O)CNC(=O)C1=CC=CC=C1 InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13) XTKVNQKOTKPCKM-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids and derivatives Alpha amino acid esters Benzene and substituted derivatives Carbonyl compounds Carboximidic acids Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Alpha-amino acid ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives 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 Aromatic homomonocyclic compounds glycine derivative methyl ester Solid logp 0.96 ALOGPS logs -2.37 ALOGPS logp 0.67 ChemAxon pka_strongest_acidic 14.93 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac methyl 2-(phenylformamido)acetate ChemAxon average_mass 193.1992 ChemAxon mono_mass 193.073893223 ChemAxon smiles COC(=O)CNC(=O)C1=CC=CC=C1 ChemAxon formula C10H11NO3 ChemAxon inchi InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13) ChemAxon inchikey XTKVNQKOTKPCKM-UHFFFAOYSA-N ChemAxon polar_surface_area 55.4 ChemAxon refractivity 50.89 ChemAxon polarizability 19.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 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::CMs 10832 Specdb::CMs 169022 Specdb::NmrTwoD 1513 Specdb::NmrOneD 1571 Specdb::NmrOneD 166354 Specdb::NmrOneD 166545 Specdb::MsIr 917 Specdb::MsIr 918 Specdb::MsIr 919 Specdb::MsMs 1211 Specdb::MsMs 1212 Specdb::MsMs 1213 Specdb::MsMs 289855 Specdb::MsMs 289856 Specdb::MsMs 289857 Specdb::MsMs 329407 Specdb::MsMs 329408 Specdb::MsMs 329409 Specdb::MsMs 374634 Specdb::MsMs 451259 Specdb::MsMs 2235855 Specdb::MsMs 2236414 Specdb::MsMs 2236955 Specdb::MsMs 2237535 Specdb::MsMs 2237990 Specdb::MsMs 2239573 Specdb::MsMs 2240009 Specdb::MsMs 2241718 Specdb::MsMs 2242022 Specdb::MsMs 2243827 Specdb::MsMs 2250423 Specdb::MsMs 2251981 Specdb::MsMs 2692361 Specdb::MsMs 2692362 FDB022285 14566 13907 70869 5822 Rinderknecht, Heinrich; Niemann, Carl. Esterification of acylated a-amino acids. Journal of the American Chemical Society (1948), 70 2605-6.