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

Structure

InChI Key HWAFCRWGGRVEQL-UHFFFAOYSA-N
Smiles O=C(NC1CCC(O)CC1)C
InChI
InChI=1/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO2
Molecular Weight 157.11
AlogP 1.27
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.82
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 27489-60-7
NORMAN SUSDAT
PubChem 90074