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

Structure

InChI Key TXHAHOVNFDVCCC-UHFFFAOYSA-N
Smiles [H+].[Cl-].CC(C)(C)NCC(O)=O
InChI
InChI=1S/C6H13NO2/c1-6(2,3)7-4-5(8)9/h7H,4H2,1-3H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O2
Molecular Weight 131.09
AlogP 0.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 49.33
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6939-23-7
NORMAN SUSDAT