Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID00200588

Structure

InChI Key NIDZUMSLERGAON-UHFFFAOYSA-N
Smiles [Cl-].CCOC(=O)CNC.[H+]
InChI
InChI=1S/C5H11NO2/c1-3-8-5(7)4-6-2/h6H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP -0.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 38.33
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 52605-49-9
NORMAN SUSDAT
ChemSpider 149648.0