Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q2873RC85Q
EPA CompTox DTXSID30210478

Structure

InChI Key FFYAVOJIYAAUNX-UHFFFAOYSA-N
Smiles CCNC(=O)C(=O)NCC
InChI
InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O2
Molecular Weight 144.09
AlogP -0.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.2
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 615-84-9
NORMAN SUSDAT
FDA SRS Q2873RC85Q
PubChem 69210
ChemSpider 62423.0