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

Structure

InChI Key FORGMRSGVSYZQR-YFKPBYRVSA-N
Smiles CC(C)C[C@H](N)C(=O)N
InChI
InChI=1/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2O
Molecular Weight 130.11
AlogP 0.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 70.1
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 687-51-4
NORMAN SUSDAT