Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00953784

Structure

InChI Key BRKPFEVAJBEGAZ-UHFFFAOYSA-N
Smiles OCC(O)CN1CC1C
InChI
InChI=1/C6H13NO2/c1-5-2-7(5)3-6(9)4-8/h5-6,8-9H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO2
Molecular Weight 131.09
AlogP -0.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 43.47
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 31877-20-0
NORMAN SUSDAT
PubChem 5743430