302846 <common-name>Benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate</common-name> <description>Benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C16H21NO4 and an average molecular weight of 291.34 g/mol.</description> <cas>1822556-74-0</cas> <pubchem-id>72790463</pubchem-id> <chemical-formula>C16H21NO4</chemical-formula> <weight>291.34</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">2026-08-28T19:55:51Z</created-at> <updated-at type="dateTime">2026-08-28T19:55:51Z</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)OC(=O)NC(C=C)C(=O)OCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C16H21NO4</moldb-formula> <moldb-inchi>InChI=1S/C16H21NO4/c1-5-13(17-15(19)21-16(2,3)4)14(18)20-11-12-9-7-6-8-10-12/h5-10,13H,1,11H2,2-4H3,(H,17,19)</moldb-inchi> <moldb-inchikey>STOSCTZEMODUNK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">291.1470582</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM298739</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>Benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate</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>CED0254055</sync-id> <structure-inchikey>STOSCTZEMODUNK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000002400000010000000000000000010010000000000000000000000000000000000000004800000000000000000000000000000000000000000008000000000000000000020000000001300000000000040800080000000010000000000000000000000000000000000000000000000000000000000800040200000800002000000000080000000000100000000000000000000000000000000008000000200080000000000000000000000000000000000000080000000020000000000000000040000000000000000000000000222000000000000000000000000100040000000002400000000000000000000000000000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFQAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgcAaAAA AAMCAQYAYAAAAAMBBgBoAAAAAwMBBgBoAAAAAwICBgAoAAAAAwQIACgAAAAD AggAKAAAAAMCBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAgABAwABBAAEBSAFBigC BQcgBwgACAkACQoIAggLAAsMKAILDSANDgAODwAPEGgMEBFoDBESaAwSE2gM ExRoDBQPaAxCAQAAAAYPFBMSERAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:11Z</structure-indexed-at> </compound>