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

Structure

InChI Key XIWBSOUNZWSFKU-SSDOTTSWSA-N
Smiles CCOC(=O)[C@@H]1CCCNC1
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N1O2
Molecular Weight 157.11
AlogP 0.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.33
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 25137-01-3
NORMAN SUSDAT