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<compound>
  <version>1.0</version>
  <creation_date>2026-08-25 06:21:08 UTC</creation_date>
  <update_date>2026-08-25 06:21:08 UTC</update_date>
  <accession/>
  <common_name>3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid</common_name>
  <class>SmallMolecule</class>
  <description>3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid belongs to the pyrrolidones, a subclass of pyrrolidines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C8H9NO4 and an average molecular weight of 183.16 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C8H9NO4</chemical_formula>
  <average_molecular_weight>183.16</average_molecular_weight>
  <monisotopic_moleculate_weight>183.0531578</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>487-65-0</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)</inchi>
  <inchikey>ZAFOEDODWZIXMO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-0.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>183.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>183.0531578</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H9NO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZAFOEDODWZIXMO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>68098</pubchem_compound_id>
  <chembl_id/>
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