Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2068058

Structure

InChI Key DLKOPXVSDZXMRM-UHFFFAOYSA-N
Smiles CNC(=O)CCCO
InChI
InChI=1S/C5H11NO2/c1-6-5(8)3-2-4-7/h7H,2-4H2,1H3,(H,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP 0.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 52.82
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 37941-69-8
NORMAN SUSDAT
PubChem 169986
ChemSpider 148651.0