Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90364022

Structure

InChI Key VMKIXWAFFVLJCK-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)N1CC(=O)C1
InChI
InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N1O3
Molecular Weight 171.09
AlogP 0.81
Hydrogen Bond Acceptor 3.0
Polar Surface Area 46.61
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 398489-26-4
NORMAN SUSDAT
PubChem 1519404
ChemSpider 1249417.0