Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TFY7037IGL
EPA CompTox DTXSID90148001

Structure

InChI Key IKMSGGHCWBSOOO-UHFFFAOYSA-N
Smiles COC(=O)CCN1CC1
InChI
InChI=1S/C6H11NO2/c1-9-6(8)2-3-7-4-5-7/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O2
Molecular Weight 129.08
AlogP -0.13
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1073-77-4
NORMAN SUSDAT
FDA SRS TFY7037IGL
PubChem 14087
ChemSpider 13467.0