329075 <common-name>(1-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate</common-name> <description>(1-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate is a chemical compound with the formula C21H31NO3. It has an average molecular weight of 345.50 g/mol.</description> <cas nil="true"/> <pubchem-id>58775</pubchem-id> <chemical-formula>C21H31NO3</chemical-formula> <weight>345.5</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">2026-08-30T09:10:47Z</created-at> <updated-at type="dateTime">2026-08-30T09:10:47Z</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>CCCCN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O</moldb-smiles> <moldb-formula>C21H31NO3</moldb-formula> <moldb-inchi>InChI=1S/C21H31NO3/c1-2-3-14-22-15-13-19(16-22)25-20(23)21(24,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,24H,2-3,7-8,11-16H2,1H3</moldb-inchi> <moldb-inchikey>HGGDYHWUGPEIKR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">345.2303939</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM324968</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-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0279646</sync-id> <structure-inchikey>HGGDYHWUGPEIKR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200800000002100000001000000000000000000000000000000000002000000000000000000000004000000000000000000000000000000000000020000000080010000000000000024000000000100000000001000000000000021010000000000000044000020000000020100000100000000000000100800000040000000808000000200004000000000000100000000000800048000000000000004000000000000080000000040000000000000008000000000000000000000000002000000000000000400000000000000000000000200000000010000000000000000000040200000090400000000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAA AAMBBgBgAAAAAgIIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGACAAAAAEBgBg AAAAAwEGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB CABgAAAAAQELAAEAAQIAAgMAAwQABAUABQYABgcABwgABwkACQogCgsoAgoM AAwNAA0OAA4PAA8QABARAAwSABITaAwTFGgMFBVoDBUWaAwWF2gMDBgACAQA EQ0AFxJoDEIDAAAABQQFBgcIBQ4NERAPBhMUFRYXEhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:59Z</structure-indexed-at> </compound>