365431 <common-name>Methyl (2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoate</common-name> <description>Methyl (2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoate is a compound with the formula C9H16ClN3O4. It has an average molecular weight of 265.69 g/mol.</description> <cas>94790-30-4</cas> <pubchem-id>24847654</pubchem-id> <chemical-formula>C9H16ClN3O4</chemical-formula> <weight>265.69</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">2026-09-01T16:00:35Z</created-at> <updated-at type="dateTime">2026-09-01T16:00:35Z</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(C(=O)OC)NC(=O)N(CCCl)N=O</moldb-smiles> <moldb-formula>C9H16ClN3O4</moldb-formula> <moldb-inchi>InChI=1S/C9H16ClN3O4/c1-6(2)7(8(14)17-3)11-9(15)13(12-16)5-4-10/h6-7H,4-5H2,1-3H3,(H,11,15)/t7-/m0/s1</moldb-inchi> <moldb-inchikey>ZQLJHLWKLMTODY-ZETCQYMHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">265.0829337</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM361324</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>Methyl (2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoate</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>CED0315385</sync-id> <structure-inchikey>ZQLJHLWKLMTODY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40004004000002000000800000000400000010000000000040000000000000000000001000000000000000000000000000000000000000000000004000000010000000000000000000000000000400000020000000000100000004000000000000000000010100100040000000004000000000000000000000001000000000000800000040000000000014020000000080000000040000000000000000000000000000000000000000000000000000000000400000008000000000000000000000000000000000000000000000000000000010000000000000000000000400000000000000000000000000000000000400000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������(�������(�������`�������h��������(�������(�������(�������`�������`������� ������(�������(��������������������(��� ������� (� � ���� � ���� ��(�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:30Z</structure-indexed-at> </compound>