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

Structure

InChI Key HXKKHQJGJAFBHI-GSVOUGTGSA-N
Smiles C[C@@H](O)CN
InChI
InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9NO
Molecular Weight 75.07
AlogP -0.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 46.25
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 2799-16-8
NORMAN SUSDAT