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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:41 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150381
Frequency0.5
Structure
Chemical FormulaC9H14N2O3
Molecular Mass198.1004
SMILESCOC(=O)C1C2CCN(C)C1C(=O)N2
InChI KeyJPXPIYSNXRRFRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-diazepanes
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • lactams
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • trialkylamines
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • 1,4-diazepane
  • diazepane
  • aliphatic heteropolycyclic compound
  • organic oxide
  • methyl ester
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • pyrrolidine
  • pyrrolidone
  • tertiary amine
  • organoheterocyclic compound
  • alpha-amino acid amide
  • azacycle
  • tertiary aliphatic amine
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound