Structure

InChI Key RGHFKWPGWBFQLN-UHFFFAOYSA-M
Smile CCC1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]
InChI
InChI=1S/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N2NaO3
Molecular Weight 206.18
AlogP 0.16
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEMBL CHEMBL2105904
EPA CompTox DTXSID3020128
FDA SRS 275L5M93QS
PubChem 12598274
SureChEMBL SCHEMBL236588