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

Structure

InChI Key ODKKEMNVADJPKL-UHFFFAOYSA-N
Smiles CCCN(CCC)C(=O)C1CCC(=O)N1
InChI
InChI=1/C11H20N2O2/c1-3-7-13(8-4-2)11(15)9-5-6-10(14)12-9/h9H,3-8H2,1-2H3,(H,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20N2O2
Molecular Weight 212.15
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.9
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 51959-84-3
NORMAN SUSDAT