<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364742</id>
  <title nil="true"/>
  <common-name>5-pyrrolidin-2-ylthiophene-2-carboxylic acid</common-name>
  <description>5-pyrrolidin-2-ylthiophene-2-carboxylic acid is a chemical compound with the formula C9H11NO2S. It has an average molecular weight of 197.26 g/mol.</description>
  <cas>915923-83-0</cas>
  <pubchem-id>45791035</pubchem-id>
  <chemical-formula>C9H11NO2S</chemical-formula>
  <weight>197.26</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">2026-09-01T15:00:08Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:00:08Z</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>C1CC(NC1)C2=CC=C(S2)C(=O)O</moldb-smiles>
  <moldb-formula>C9H11NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H11NO2S/c11-9(12)8-4-3-7(13-8)6-2-1-5-10-6/h3-4,6,10H,1-2,5H2,(H,11,12)</moldb-inchi>
  <moldb-inchikey>GTPRCVGAXQLEJZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">197.0510498</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.9</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>CHEM360635</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>5-pyrrolidin-2-ylthiophene-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>Organoheterocyclic compounds</superklass>
  <klass>Thiophenes</klass>
  <subklass>Thiophene carboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314715</sync-id>
  <structure-inchikey>GTPRCVGAXQLEJZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000002000040000000000002000400000000000000000000000000000004000000000000000000004000000100000000080000000000000000000000000000000000000000100000020001010000000000000000200000000000000010000000080000000100000002000020000000000000000000000100800000000000000000000200000000200000000000000000000000000000000000000000004000000000000080000000000000000000000000000001000000000000001000000000000000000000000000000000000000000000200000000000000000000000000000040000000008400000000000000000000000000000000</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:03Z</structure-indexed-at>
</compound>
