Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID5065518

Structure

InChI Key HQZMRJBVCVYVQA-UHFFFAOYSA-N
Smiles [Cl-].CNCC(=O)OC.[H+]
InChI
InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O2
Molecular Weight 103.06
AlogP -0.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.33
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 13515-93-0
NORMAN SUSDAT
ChemSpider 75376.0