Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0II79F4L0K
EPA CompTox DTXSID401311462

Structure

InChI Key BLWYXBNNBYXPPL-YFKPBYRVSA-N
Smiles O=C(OC)C1NCCC1
InChI
InChI=1/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NO2
Molecular Weight 129.08
AlogP -0.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 38.33
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2577-48-2
NORMAN SUSDAT
FDA SRS 0II79F4L0K
PubChem 853477