287554 <common-name>Methyl 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate</common-name> <description>Methyl 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C13H15ClN2O2 and an average molecular weight of 266.72 g/mol.</description> <cas nil="true"/> <pubchem-id>5744403</pubchem-id> <chemical-formula>C13H15ClN2O2</chemical-formula> <weight>266.72</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">2026-08-28T00:03:46Z</created-at> <updated-at type="dateTime">2026-08-28T00:03:46Z</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>COC(=O)C1CCC(=N)N1CC2=CC=C(C=C2)Cl</moldb-smiles> <moldb-formula>C13H15ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H15ClN2O2/c1-18-13(17)11-6-7-12(15)16(11)8-9-2-4-10(14)5-3-9/h2-5,11,15H,6-8H2,1H3</moldb-inchi> <moldb-inchikey>JBQYSDBLEFOIGV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">266.0822054</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>CHEM283447</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 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate</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>CED0239333</sync-id> <structure-inchikey>JBQYSDBLEFOIGV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>6000000000800000000000000000000000000000000080000000000000000000000200000000000000000000000000000000000000000000000000000012000000400000000000000100020020020000000100000000000000000000000000010090000040000000000000000000020100000000100000000000100000000040020000000000000000000080000000000000000000000000000000000000000004000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010100000000000200220040101000000000000000000000040000400000400000000000100000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������`�������(�������h��������(�������`������@(������@h�������@h�������@(������@h�������@h�������� ���������� ��(���������������(�� � ����h�� h� �h���h���h���� ����h�B��������� �� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:52Z</structure-indexed-at> </compound>