304126 <common-name>3-[[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid</common-name> <description>3-[[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic 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 C16H27N3O5 and an average molecular weight of 341.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3069242</pubchem-id> <chemical-formula>C16H27N3O5</chemical-formula> <weight>341.4</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">2026-08-28T21:36:47Z</created-at> <updated-at type="dateTime">2026-08-28T21:36:47Z</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>CCN1CCN(CC1)C(=O)C(CC(C)C)NC(=O)C2C(O2)C(=O)O</moldb-smiles> <moldb-formula>C16H27N3O5</moldb-formula> <moldb-inchi>InChI=1S/C16H27N3O5/c1-4-18-5-7-19(8-6-18)15(21)11(9-10(2)3)17-14(20)12-13(24-12)16(22)23/h10-13H,4-9H2,1-3H3,(H,17,20)(H,22,23)</moldb-inchi> <moldb-inchikey>NRIMRVAULJQUFO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">341.195071</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-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>CHEM300019</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-[[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic 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>CED0255270</sync-id> <structure-inchikey>NRIMRVAULJQUFO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000020000000002080000008040000000000000000000000000000000000000000100200000000000000000000000400000000000000000000000000001000000000000000000000000000000000002080000080420000000000880001000200000001000000040000004000000000000002012000008000000000000010000000004040000000200000000000008000000000000000000000000000020000000000000000000000000000000000000001000000000000a000000000000000000000000004000000000000000000400000000000000000000000000000010000000000000100000000000000000440000000000000000000004000000000</structure-fingerprint> 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