286571 <common-name>(3s)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid</common-name> <description>(3s)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic 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 C13H10F3N3O4 and an average molecular weight of 329.23 g/mol.</description> <cas>39219-30-2</cas> <pubchem-id>38247</pubchem-id> <chemical-formula>C13H10F3N3O4</chemical-formula> <weight>329.23</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">2026-08-27T22:48:21Z</created-at> <updated-at type="dateTime">2026-08-27T22:48:21Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id 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<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>CHEM282464</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>(3s)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic 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>CED0238371</sync-id> <structure-inchikey>KIGAPXNVLOREBY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200000000000800002002400000000000040000100000000000000000000000000004000000000000000000004000000000000000000000000200000000000000000000400000000000000000020000020000000000000008000000000000200010000000010000001000000000000000000000000000000400000000000000000000400000000000000840080000000000000000000000000000000012000000000000080000000088000000000000000040000000000000000000000000000000000000000000010000000800000000000000000400200000000000000008000000000000040000000000400800000200000000000000008000000</structure-fingerprint> 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