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

Structure

InChI Key LWHHAVWYGIBIEU-UHFFFAOYSA-N
Smiles CC1(CCCN1)C(O)=O
InChI
InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O2
Molecular Weight 129.08
AlogP 0.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.33
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 42856-71-3
NORMAN SUSDAT