<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365459</id>
  <title nil="true"/>
  <common-name>Methyl 3-[dimethylamino(prop-2-enoyl)amino]propanoate</common-name>
  <description>Methyl 3-[dimethylamino(prop-2-enoyl)amino]propanoate is a chemical compound with the formula C9H16N2O3. It has an average molecular weight of 200.23 g/mol.</description>
  <cas>96804-43-2</cas>
  <pubchem-id>24843703</pubchem-id>
  <chemical-formula>C9H16N2O3</chemical-formula>
  <weight>200.23</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">2026-09-01T16:03:24Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:03:24Z</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>CN(C)N(CCC(=O)OC)C(=O)C=C</moldb-smiles>
  <moldb-formula>C9H16N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C9H16N2O3/c1-5-8(12)11(10(2)3)7-6-9(13)14-4/h5H,1,6-7H2,2-4H3</moldb-inchi>
  <moldb-inchikey>ZQINWBJLQAMHJB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">200.1160924</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.4</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>CHEM361352</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>Methyl 3-[dimethylamino(prop-2-enoyl)amino]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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Acrylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315413</sync-id>
  <structure-inchikey>ZQINWBJLQAMHJB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800000000000000800000000000000000000000000010000000000000000000000000400000000000000000000000000000000004000000000000000000000000000000000000000000000000000020000000000300000000000000000000000000010000000040000000004000000000000000000100000000000000000000000040000000000000000000000080100000002000000000000000000000000000000000000000000200002000000000000040000000000000000000000000000008000000000000000000040000200000000000000000000000000000000000000000000000000000800000000400002001000000000000000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`������� ������`�������(�������`�������`�������(�������(�������(�������`�������(�������(�������h��������h���������������������������(��� �	��
 
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� �(�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:32Z</structure-indexed-at>
</compound>
