293563 <common-name>2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)acetic acid</common-name> <description>2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)acetic acid belongs to the substituted pyrroles, a subclass of pyrroles within the organic compounds. It is an organoheterocyclic compound with the chemical formula C14H21NO2 and an average molecular weight of 235.32 g/mol.</description> <cas>42779-77-1</cas> <pubchem-id>3039299</pubchem-id> <chemical-formula>C14H21NO2</chemical-formula> <weight>235.32</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">2026-08-28T08:57:51Z</created-at> <updated-at type="dateTime">2026-08-28T08:57:51Z</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>CC1=CC(=C(N1C2CCCCC2)C)CC(=O)O</moldb-smiles> <moldb-formula>C14H21NO2</moldb-formula> <moldb-inchi>InChI=1S/C14H21NO2/c1-10-8-12(9-14(16)17)11(2)15(10)13-6-4-3-5-7-13/h8,13H,3-7,9H2,1-2H3,(H,16,17)</moldb-inchi> <moldb-inchikey>LGBZFQSZZGDJHR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">235.1572289</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM289456</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>2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)acetic 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>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0245071</sync-id> <structure-inchikey>LGBZFQSZZGDJHR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800000000000000000000000000000000000000000000000000000000000040000000000000004000000000000000000000000000000000000000000000000000800000000000020000000000000000000000000000000000000010000002000000000501020000020020100000000000000000000100800000040000000000000000000000000000000000000000000000000000800000000000004000004000000080000080000000000000000000000000000000000000000000000000000000000000000002000000000002000400000020000000000000000000000000040000000020400000000000000000040000000000002</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQHQCgAAAADAwYAYAAAAAMBBgBg AAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAED BgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCABoAAAAAwEBCwABAAECaAwCA2gM AwRoDAQFaAwFBgAGBwAHCAAICQAJCgAKCwAEDAADDQANDgAODygCDhAgBQFo DAsGAEICAAAABQECAwQFBgcICQoLBhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:05:27Z</structure-indexed-at> </compound>