45404 <common-name>D-(-)-a-phenylglycine</common-name> <description>D-(-)-a-phenylglycine is an organic compound with the formula C8H9NO2 and an average molecular weight of 151.16 g/mol. D-(-)-a-phenylglycine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been found in or released from drinking water and water supply, specifically drinking water. The recorded route of exposure for this compound is oral.</description> <cas>875-74-1</cas> <pubchem-id>6931075</pubchem-id> <chemical-formula>C8H9NO2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T12:01:27Z</created-at> <updated-at type="dateTime">2026-03-26T19:32:09Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@](N)(C(O)=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C8H9NO2</moldb-formula> <moldb-inchi>InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1</moldb-inchi> <moldb-inchikey>ZGUNAGUHMKGQNY-SSDOTTSWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">151.1626</moldb-average-mass> <moldb-mono-mass type="decimal">151.063328537</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63322</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM044299</chemdb-id> <dsstox-id>DTXSID50889362</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00005953</stoff-ident-id> <susdat-id>NS00001255</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>63.32000000000001</moldb-polar-surface-area> <moldb-refractivity>40.3613</moldb-refractivity> <moldb-polarizability>15.127087288661684</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>2.2288363541839846</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.84962706229888</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-1.52</moldb-alogps-logp> <moldb-alogps-logs>-1.30</moldb-alogps-logs> <moldb-alogps-solubility>7.65e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0061790</sync-id> <structure-inchikey>ZGUNAGUHMKGQNY-SSDOTTSWSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000001000000000020000000000000000000000000000000002000010000000000000000000000000000000000000000000000000000000000000000000000800000000000000000001000000100000000000000000000000000000000000000000400080000000000000000000000000000000000000000000000000400000000000000000000000000000000000004000200000000000000000000000800000040000000000400000000000000000000000000000002</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBiA0AAAAAQEEBwBgAAAA AQIGACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwELAAEAAAIAAgMg AgQoAgAFAAUGaAwGB2gMBwhoDAgJaAwJCmgMCgVoDEIBAAAABgUKCQgHBhcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:12:42Z</structure-indexed-at> </compound>