<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309059</id>
  <title nil="true"/>
  <common-name>(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate</common-name>
  <description>(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate is a chemical compound with the formula C17H25NO2. It has an average molecular weight of 275.40 g/mol.</description>
  <cas>101866-74-4</cas>
  <pubchem-id>3063960</pubchem-id>
  <chemical-formula>C17H25NO2</chemical-formula>
  <weight>275.4</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">2026-08-29T03:30:35Z</created-at>
  <updated-at type="dateTime">2026-08-29T03:30:35Z</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>CCC(=O)OC1(CCN(C1C)C(C)C)C2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C17H25NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-12-18(13(2)3)14(17)4/h6-10,13-14H,5,11-12H2,1-4H3</moldb-inchi>
  <moldb-inchikey>TZKMUTIJRAEZBG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">275.188529</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM304952</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-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate</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>Pyrrolidines</klass>
  <subklass>Phenylpyrrolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260073</sync-id>
  <structure-inchikey>TZKMUTIJRAEZBG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000040000000000004000000040000000001002000000000000000000000004000000000000000000000000000000000000000008000800000000000000000020000000000500000000000000000008000000010000000000000000000000200000020104000002000000100000100000008048000000800000000000000040200000000100000000000000000000000000040000000000000000882000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000202000000040000000000000020000040000000000400000000000000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������� ������`�������`������� ������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h���������������(��� �������������	�	
��������������h���h���h���h���h�	����h�B�������	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:16:52Z</structure-indexed-at>
</compound>
