Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9CP4KB634M
EPA CompTox DTXSID3060249

Structure

InChI Key SANOUVWGPVYVAV-UHFFFAOYSA-N
Smiles CC(C)CC(=O)N
InChI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O1
Molecular Weight 101.08
AlogP 1.57
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 44.08
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 541-46-8
NORMAN SUSDAT
FDA SRS 9CP4KB634M
PubChem 10930
ChemSpider 10467.0