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

Structure

InChI Key ZIIOSFHXHLTBRD-ZZXKWVIFSA-N
Smiles ON=CC(C)(C)CO
InChI
InChI=1/C5H11NO2/c1-5(2,4-7)3-6-8/h3,7-8H,4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11NO2
Molecular Weight 117.08
AlogP 0.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.82
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 36559-87-2
NORMAN SUSDAT
PubChem 9576731