<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">282406</id>
  <title nil="true"/>
  <common-name>Diethyl 2-[2-(dimethylamino)ethyl]propanedioate</common-name>
  <description>Diethyl 2-[2-(dimethylamino)ethyl]propanedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It has the chemical formula C11H21NO4 and an average molecular weight of 231.29 g/mol. This compound is further classified as a lipid and lipid-like molecule.</description>
  <cas>5429-29-8</cas>
  <pubchem-id>225053</pubchem-id>
  <chemical-formula>C11H21NO4</chemical-formula>
  <weight>231.29</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">2026-08-27T17:54:05Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:54:05Z</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>CCOC(=O)C(CCN(C)C)C(=O)OCC</moldb-smiles>
  <moldb-formula>C11H21NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C11H21NO4/c1-5-15-10(13)9(7-8-12(3)4)11(14)16-6-2/h9H,5-8H2,1-4H3</moldb-inchi>
  <moldb-inchikey>XTTIXKIEKDPSIJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">231.1470582</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM278299</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>Diethyl 2-[2-(dimethylamino)ethyl]propanedioate</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 acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0234350</sync-id>
  <structure-inchikey>XTTIXKIEKDPSIJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000040000000000000000000000000000028000000000500000000001000000000000000050000000000000000004000000000004000000000000000000000000000000040000000000000000000000000100000000000000000020000000000000000000000000000000000000000000000000000000000000200000000000200000000000000000000000000000000000000000000002000000000000000000000002000000000000000000000000400000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������`�������`������� ������`�������`�������(�������(�������(�������`�������`�������������� ��(��������������	��
������(�� �����B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:57:13Z</structure-indexed-at>
</compound>
