298588 <common-name>3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4h-cyclopenta[b]thiophene-2-carboxylic acid</common-name> <description>3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4h-cyclopenta[b]thiophene-2-carboxylic acid belongs to the thiophene carboxylic acids and derivatives, a subclass of thiophenes within the organic compounds. This organoheterocyclic compound has the formula C15H23NO4S and an average molecular weight of 313.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3069896</pubchem-id> <chemical-formula>C15H23NO4S</chemical-formula> <weight>313.4</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">2026-08-28T14:58:31Z</created-at> <updated-at type="dateTime">2026-08-28T14:58:31Z</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>CC(C)(C)NCC(COC1=C(SC2=C1CCC2)C(=O)O)O</moldb-smiles> <moldb-formula>C15H23NO4S</moldb-formula> <moldb-inchi>InChI=1S/C15H23NO4S/c1-15(2,3)16-7-9(17)8-20-12-10-5-4-6-11(10)21-13(12)14(18)19/h9,16-17H,4-8H2,1-3H3,(H,18,19)</moldb-inchi> <moldb-inchikey>ICDMCVXKWPEJDX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">313.1347794</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.2</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>CHEM294481</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>3-[3-(tert-butylamino)-2-hydroxypropoxy]-5,6-dihydro-4h-cyclopenta[b]thiophene-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>CED0249927</sync-id> <structure-inchikey>ICDMCVXKWPEJDX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000002000000000804000012200000000002000000000000008100000000000000000000000000400000040000004800000000200000080000000000000000000000000000000000012020000000020200010000100000000004000000000040000010000000010000000000008000000020000000000000000000000000800000040000000000000002040000080000000000000000000000000000001000000000000000000000000080100000000000000080000000000000000000000000000002000000000000000000000000000000000000000200000000000000000004000000000000000000000000400000000000000000000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������`�������(������@(������@(������@(������@(������@(�������`�������`�������`�������(�������(�������h��������`������������������������������� h� �h���h�� h� �������� � ��(��� ��� h����B����� �� �� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:09:08Z</structure-indexed-at> </compound>