365611 <common-name>2-methyl-2-(pyrrolidin-1-ylmethylsulfanyl)propanoic acid</common-name> <description>2-methyl-2-(pyrrolidin-1-ylmethylsulfanyl)propanoic acid is a chemical compound with the formula C9H17NO2S. It has an average molecular weight of 203.30 g/mol.</description> <cas>92187-56-9</cas> <pubchem-id>3021955</pubchem-id> <chemical-formula>C9H17NO2S</chemical-formula> <weight>203.3</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">2026-09-01T16:19:16Z</created-at> <updated-at type="dateTime">2026-09-01T16:19:16Z</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(=O)O)SCN1CCCC1</moldb-smiles> <moldb-formula>C9H17NO2S</moldb-formula> <moldb-inchi>InChI=1S/C9H17NO2S/c1-9(2,8(11)12)13-7-10-5-3-4-6-10/h3-7H2,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>BBVIPYNNUIYKFH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">203.098</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.6</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>CHEM361504</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-methyl-2-(pyrrolidin-1-ylmethylsulfanyl)propanoic 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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315559</sync-id> <structure-inchikey>BBVIPYNNUIYKFH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000800000002800000000000000000000000000000000000000000000000000000000000000000004800000000000000000000000000000000000000000000000000000000000000020000001000000000000000000000002000000010010000000000000000000000000020100000000000000000000000800000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000008000000000000000000000000000000000000000000000200000000000000000000100000000010000200000000000000000000000000400000000000000400002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������� ������`�������(�������(�������h�������� ������`������� ������`�������`�������`�������`�����������������(��� ���������� � � ��������B������ ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:39Z</structure-indexed-at> </compound>