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

Structure

InChI Key MOFBPUBBBREDCE-UHFFFAOYSA-N
Smiles O=C(O)C(N)CCC(=O)NN
InChI
InChI=1/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N3O3
Molecular Weight 161.08
AlogP -0.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 121.93
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1820-73-1
NORMAN SUSDAT