1.0 2016-09-30 22:52:42 UTC 2020-04-22 15:10:13 UTC BMDB0002210 BMDB02210 2-Phenylglycine 2-Phenylglycine, also known as a-amino-a-toluate or L-PHG amino acid, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-Phenylglycine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. 2-Amino-2-phenylacetic acid alpha-Amino-alpha-toluic acid alpha-Aminobenzeneacetic acid alpha-Aminophenylacetic acid Amino(phenyl)acetic acid Amino-phenyl-acetic acid DL-2-Phenylglycine DL-alpha-Phenylglycine DL-Phenylglycine 2-Amino-2-phenylacetate a-Amino-a-toluate a-Amino-a-toluic acid alpha-Amino-alpha-toluate Α-amino-α-toluate Α-amino-α-toluic acid a-Aminobenzeneacetate a-Aminobenzeneacetic acid alpha-Aminobenzeneacetate Α-aminobenzeneacetate Α-aminobenzeneacetic acid a-Aminophenylacetate a-Aminophenylacetic acid alpha-Aminophenylacetate Α-aminophenylacetate Α-aminophenylacetic acid Amino(phenyl)acetate Amino-phenyl-acetate DL-a-Phenylglycine DL-Α-phenylglycine 2-Phenylglycine, (D)-isomer 2-Phenylglycine, (DL)-isomer 2-Phenylglycine, (L)-isomer D-Phenylglycine L-PHG Amino acid L-Phenylglycine (+/-)-a-phenylglycine (+/-)-alpha-phenylglycine 2-Phenyl-glycine alpha-Amino-benzeneacetate alpha-Amino-benzeneacetic acid alpha-Phenylgycine Aminophenylacetic acid DL-2-Phenyl-glycine DL-a-Aminophenylacetate DL-a-Aminophenylacetic acid DL-alpha-Aminophenylacetate DL-alpha-Aminophenylacetic acid DL-alpha-Phenylaminoacetate DL-alpha-Phenylaminoacetic acid a-Phenylglycine Α-phenylglycine 2-Phenylglycine C8H9NO2 151.1626 151.063328537 2-amino-2-phenylacetic acid (+/-)-α-phenylglycine 2835-06-5 NC(C(O)=O)C1=CC=CC=C1 InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11) ZGUNAGUHMKGQNY-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Amino acids Aralkylamines Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Alpha-amino acid Amine Amino acid Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds non-proteinogenic alpha-amino acid Solid melting_point 290 °C water_solubility 115 mg/mL at 100 °C logp -2.07 HANSCH,C ET AL. (1995) logp -1.52 ALOGPS logs -1.30 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 2.23 ChemAxon pka_strongest_basic 8.64 ChemAxon iupac 2-amino-2-phenylacetic acid ChemAxon average_mass 151.1626 ChemAxon mono_mass 151.063328537 ChemAxon smiles NC(C(O)=O)C1=CC=CC=C1 ChemAxon formula C8H9NO2 ChemAxon inchi InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11) ChemAxon inchikey ZGUNAGUHMKGQNY-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 40.36 ChemAxon polarizability 15.18 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsIr 1687 Specdb::MsIr 1688 Specdb::MsIr 1689 Specdb::CMs 1132 Specdb::CMs 1200 Specdb::CMs 21637 Specdb::CMs 30026 Specdb::CMs 31400 Specdb::CMs 31401 Specdb::CMs 38319 Specdb::CMs 117381 Specdb::CMs 137188 Specdb::CMs 144922 Specdb::CMs 832942 Specdb::CMs 832943 Specdb::CMs 832944 Specdb::NmrTwoD 1803 Specdb::NmrOneD 1864 Specdb::NmrOneD 166338 Specdb::NmrOneD 166568 Specdb::NmrOneD 166569 Specdb::MsMs 2031 Specdb::MsMs 2032 Specdb::MsMs 2033 Specdb::MsMs 314131 Specdb::MsMs 314132 Specdb::MsMs 314133 Specdb::MsMs 359812 Specdb::MsMs 359813 Specdb::MsMs 359814 Specdb::MsMs 445474 Specdb::MsMs 445475 Specdb::MsMs 445476 Specdb::MsMs 2226818 Specdb::MsMs 2227921 Specdb::MsMs 2228634 Specdb::MsMs 2229141 Specdb::MsMs 2230296 Specdb::MsMs 2231605 Specdb::MsMs 2232607 Specdb::MsMs 2234018 Specdb::MsMs 2234901 Specdb::MsMs 2244098 Specdb::MsMs 2245979 Specdb::MsMs 2246222 Specdb::MsMs 2248082 Milk Commercial milk, by CIL LC-MS Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241 3732 3866 55484 FDB022909 Phenylglycine 6549 Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241