Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30233526

Structure

InChI Key LMUUYCHNLMKVFR-UHFFFAOYSA-N
Smiles NC(=O)OCCCCO
InChI
InChI=1S/C5H11NO3/c6-5(8)9-4-2-1-3-7/h7H,1-4H2,(H2,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O3
Molecular Weight 133.07
AlogP 0.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 73.54
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 84540-40-9
NORMAN SUSDAT
PubChem 3019942
ChemSpider 2286976.0