Structure

InChI Key LPUQAYUQRXPFSQ-DFWYDOINSA-M
Smiles [Na+].N[C@@H](CCC(=O)O)C(=O)[O-]
InChI
InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8NNaO4
Molecular Weight 169.04
AlogP -5.07
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 103.45
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 21932-17-2
NORMAN SUSDAT