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

Structure

InChI Key JHWZWIVZROVFEM-UHFFFAOYSA-N
Smiles O=C1OC(=O)C(N1)CC(C)C
InChI
InChI=1/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO3
Molecular Weight 157.07
AlogP 0.87
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 58.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 51248-35-2
NORMAN SUSDAT
PubChem 100167