<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>1-(benzylsulfonylamino)cyclopentane-1-carboxylic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>22179808</pubchem-id>
  <chemical-formula>C13H17NO4S</chemical-formula>
  <weight>283.35</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">2026-08-28T01:26:59Z</created-at>
  <updated-at type="dateTime">2026-08-28T01:26:59Z</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>C1CCC(C1)(C(=O)O)NS(=O)(=O)CC2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C13H17NO4S</moldb-formula>
  <moldb-inchi>InChI=1S/C13H17NO4S/c15-12(16)13(8-4-5-9-13)14-19(17,18)10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,15,16)</moldb-inchi>
  <moldb-inchikey>ZURYKMUWEOQRHM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">283.0878292</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM284336</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>1-(benzylsulfonylamino)cyclopentane-1-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>CED0240190</sync-id>
  <structure-inchikey>ZURYKMUWEOQRHM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000008000020200000000000000400080000000000000000000000000000000000000000200000000040000000000000000000000000000020000000000008200000000000000000000200000000000000000040000000000000000000100000000000000000000000000000200000000000000000000000008000000082000048000000000000000802000000001000000000000000000000000000000000000000000000c0000000000000000000000080000000000000000000080000000000000000002000000000000000000000000000220000000000000000000000000000040000000000400000000000000000000000000000000</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�����h�B��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:01:36Z</structure-indexed-at>
</compound>
