110940 <common-name>2-Ethylhexyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate</common-name> <description>2-Ethylhexyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid derivative has the chemical formula C13H23NO3 and an average molecular weight of 241.33 g/mol.</description> <cas>4261-80-7</cas> <pubchem-id>107251</pubchem-id> <chemical-formula>C13H23NO3</chemical-formula> <weight>241.33</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">2026-04-05T19:19:10Z</created-at> <updated-at type="dateTime">2026-08-19T02:41:57Z</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>[H]C(CC)(CCCC)COC(=O)[C@]1([H])CCC(O)=N1</moldb-smiles> <moldb-formula>C13H23NO3</moldb-formula> <moldb-inchi>InChI=1S/C13H23NO3/c1-3-5-6-10(4-2)9-17-13(16)11-7-8-12(15)14-11/h10-11H,3-9H2,1-2H3,(H,14,15)/t10?,11-/m0/s1</moldb-inchi> <moldb-inchikey>YEMWTVRIHVDMPF-DTIOYNMSSA-N</moldb-inchikey> <moldb-average-mass type="decimal">241.331</moldb-average-mass> <moldb-mono-mass type="decimal">241.1677936</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM106833</chemdb-id> <dsstox-id>DTXSID40962613</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00082437</susdat-id> <iupac>2-Ethylhexyl (2S)-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115084</sync-id> <structure-inchikey>YEMWTVRIHVDMPF-DTIOYNMSSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000200200000010000000000200040000000000000000000002000000000000000000002000000000000000000000000000000000000002000000000000010000000000000020000000000100000000001020008000000020012000000000800000000000000000020000000000000000000000108000000040000000000000000000000000000000000000002000000000000000000000000004800000000000080000000008000000000000000000000000000000800000000000002400000000000000000000000000000000200000000000000000000000000000008008000000010400000000000000000000020000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgAwAAAAAQQGAGAAAAAC AgYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMGAGAA AAACAggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYgNAAAAAIBBAYAYAAAAAIC BgBgAAAAAgIGACgAAAADBAgAaAAAAAMBAQcAKAAAAAMDCwABAAECAAADAAME AAQFAAUGAAAHAAcIAAgJIAkKKAIJCwALDAAMDQANDgAODyAOECgCEAsAQgEA AAAFCwwNDhAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:32Z</structure-indexed-at> </compound>