Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70862814

Structure

InChI Key NWYYWIJOWOLJNR-RXMQYKEDSA-N
Smiles CC(C)[C@H](N)CO
InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13NO
Molecular Weight 103.1
AlogP -0.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 46.25
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 16369-05-4
NORMAN SUSDAT
PubChem 640993