Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00212500

Structure

InChI Key VFKVIVDERFUZPW-LURJTMIESA-N
Smiles CCCNC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C8H14N2O2/c1-2-5-9-8(12)6-3-4-7(11)10-6/h6H,2-5H2,1H3,(H,9,12)(H,10,11)/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14N2O2
Molecular Weight 170.11
AlogP 1.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 65.18
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 63155-83-9
NORMAN SUSDAT
PubChem 6454536
ChemSpider 4956849.0