288420 <common-name>3-(4-hydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid</common-name> <description>3-(4-hydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C13H17NO4 and an average molecular weight of 251.28 g/mol.</description> <cas>664081-15-6</cas> <pubchem-id>16778040</pubchem-id> <chemical-formula>C13H17NO4</chemical-formula> <weight>251.28</weight> <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">2026-08-28T01:24:58Z</created-at> <updated-at type="dateTime">2026-08-28T01:24:58Z</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>CC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O</moldb-smiles> <moldb-formula>C13H17NO4</moldb-formula> <moldb-inchi>InChI=1S/C13H17NO4/c1-8(2)12(16)14-11(13(17)18)7-9-3-5-10(15)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)(H,17,18)</moldb-inchi> <moldb-inchikey>OJQDZYUOVBSIJQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">251.115758</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM284313</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-(4-hydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <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" nil="true"/> <sync-id>CED0240169</sync-id> <structure-inchikey>OJQDZYUOVBSIJQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000400000000000000000000000000000000000000001000000200000000000000000004000000000000000000000000000000000000000000000400000000000000000020000000000000000000008040000000000000010000000000104000000000000000000000000000000000000000000000000040000000000000000000000080000000040000000000000000000000000000004000000004000000080000000000000000000000000000000000000000000000000000002000008000000000000000000000000000000220000020000000000000000800000040000000000400000000000000000000020080000400</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgAoAAAAAwQIACgAAAADAgcAaAAAAAMCAQYAYAAAAAMBBgBg AAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAA AwMBBkBoAAAAAwMBCABoAAAAAwEBBgAoAAAAAwQIACgAAAADAggAaAAAAAMB AQsAAQABAgABAwADBCgCAwUgBQYABgcABwgACAloDAkKaAwKC2gMCwxoDAwN aAwLDiAGDwAPECgCDxEgDQhoDEIBAAAABggNDAsKCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:34Z</structure-indexed-at> </compound>