Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HU5ZGD55DV
EPA CompTox DTXSID20992357

Structure

InChI Key ACADKHGAMCGGHY-UHFFFAOYSA-N
Smiles N#CC(C(=O)OC)(CC)C(C)CC
InChI
InChI=1/C10H17NO2/c1-5-8(3)10(6-2,7-11)9(12)13-4/h8H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17NO2
Molecular Weight 183.13
AlogP 2.13
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 50.09
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 71735-23-4
NORMAN SUSDAT
FDA SRS HU5ZGD55DV
PubChem 3018252