Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P3TN98Q43M
EPA CompTox DTXSID10207568

Structure

InChI Key NJTMPILFXWNYAH-UHFFFAOYSA-N
Smiles CC(C)(C)C(=O)NC(=O)N
InChI
InChI=1S/C6H12N2O2/c1-6(2,3)4(9)8-5(7)10/h1-3H3,(H3,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O2
Molecular Weight 144.09
AlogP 1.48
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Polar Surface Area 76.67
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 58850-86-5
NORMAN SUSDAT
FDA SRS P3TN98Q43M
PubChem 100864
ChemSpider 91132.0