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

Structure

InChI Key XQLIRTZXJDEQAO-UHFFFAOYSA-N
Smiles O=C1NC(=O)CC(N1)C
InChI
InChI=1/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8N2O2
Molecular Weight 128.06
AlogP 0.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 65.18
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2434-49-3
NORMAN SUSDAT
PubChem 97818