Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7057785

Structure

InChI Key AQZWKPDVWWJWRY-UHFFFAOYSA-N
Smiles CCOC(=O)CN1CCCC1=O
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)6-9-5-3-4-7(9)10/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N1O3
Molecular Weight 171.09
AlogP 0.17
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 46.61
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 61516-73-2
NORMAN SUSDAT
PubChem 109094
ChemSpider 98102.0