Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6067755

Structure

InChI Key BGCNBOFPABQGNG-UHFFFAOYSA-N
Smiles CCOC(=O)C[NH+](C)C
InChI
InChI=1S/C6H13NO2/c1-4-9-6(8)5-7(2)3/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O2
Molecular Weight 131.09
AlogP 0.11
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33229-89-9
NORMAN SUSDAT
PubChem 118412
ChemSpider 105831.0