Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30173372

Structure

InChI Key PEFFWBKKAGDQJR-UHFFFAOYSA-N
Smiles OCN1CNCN(CO)C1=O
InChI
InChI=1S/C5H11N3O3/c9-3-7-1-6-2-8(4-10)5(7)11/h6,9-10H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N3O3
Molecular Weight 161.08
AlogP -1.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 76.04
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 19708-68-0
NORMAN SUSDAT
PubChem 88206
ChemSpider 8771.0