Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G05L7T7ZEQ

Structure

InChI Key VZXPDPZARILFQX-UHFFFAOYSA-N
Smiles CC(=O)OCC(N)C(O)=O
InChI
InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1O4
Molecular Weight 147.05
AlogP -1.04
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.62
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4985-36-8
NORMAN SUSDAT
FDA SRS G05L7T7ZEQ