Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120191
Identification
Name: phenylureidoacetic acid
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C9H10N2O3
Average Molecular Weight: 194.19
Monoisotopic Molecular Weight: 194.06914
InChI Key: GIOUOHDKHHZWIQ-UHFFFAOYSA-N
InChI:InChI=1S/C9H10N2O3/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14)
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(=O)(O)C(NC(=O)N)C1(C=CC=CC=1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent N-carbamoyl-alpha amino acids
Alternative Parents
Substituents
  • N-carbamoyl-alpha-amino acid
  • Monocyclic benzene moiety
  • Benzenoid
  • Carbonic acid derivative
  • Urea
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular Framework Aromatic homomonocyclic compounds
External Descriptors
  • a small molecule (CPD-8524)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight194.19 g/molPubChem
XLogP3-AA0.3 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count3 PubChem
Rotatable Bond Count3 PubChem
Exact Mass194.069 g/molPubChem
Monoisotopic Mass194.069 g/molPubChem
Topological Polar Surface Area92.4 A^2PubChem
Heavy Atom Count14 PubChem
Formal Charge0 PubChem
Complexity224 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CAS5616-20-6
    CHEMSPIDER3720360
    PUBCHEM4525385