Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10187598

Structure

InChI Key HHXSZDXMSRXWJV-IBTYICNHSA-N
Smiles Cl.CCOC(=O)C1CC(O)CN1
InChI
InChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O3
Molecular Weight 159.09
AlogP -0.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.56
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 33996-30-4
NORMAN SUSDAT
PubChem 12709304
ChemSpider 375056.0