Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00984674

Structure

InChI Key QYJOOVQLTTVTJY-UHFFFAOYSA-N
Smiles CCOC(=O)C1CCC(=O)N1
InChI
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N1O3
Molecular Weight 157.07
AlogP 0.67
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 66183-71-9
NORMAN SUSDAT
PubChem 98047
ChemSpider 88520.0