Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4CA13A832H
EPA CompTox DTXSID70859522

Structure

InChI Key KZSNJWFQEVHDMF-UHFFFAOYSA-N
Smiles CC(C)C(N)C(O)=O
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP 0.05
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 516-06-3
NORMAN SUSDAT
FDA SRS 4CA13A832H
PubChem 1182
ChemSpider 1148.0