Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H2HUX79FYK
EPA CompTox DTXSID3024522

Structure

InChI Key CSDTZUBPSYWZDX-UHFFFAOYSA-N
Smiles CCCCCON=O
InChI
InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP 1.87
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 38.66
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 463-04-7
NORMAN SUSDAT
FDA SRS H2HUX79FYK
PubChem 10026
ChemSpider 9632.0