Sodium 2-acetamidomalonate
CAS No.:
117976-12-2
M. Wt:
205.076
M. Fa:
C5H5NNa2O5
InChI Key:
DZHMKRWQGAVIJB-UHFFFAOYSA-L
Appearance:
Solid
Names and Identifiers of Sodium 2-acetamidomalonate
CAS Number |
117976-12-2 |
|---|---|
IUPAC Name |
disodium;2-acetamidopropanedioate |
InChI |
InChI=1S/C5H7NO5.2Na/c1-2(7)6-3(4(8)9)5(10)11;;/h3H,1H3,(H,6,7)(H,8,9)(H,10,11);;/q;2*+1/p-2 |
InChIKey |
DZHMKRWQGAVIJB-UHFFFAOYSA-L |
Canonical SMILES |
CC(=O)NC(C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
UNSPSC Code |
12352100 |
Physical and chemical properties of Sodium 2-acetamidomalonate
Exact Mass |
204.996307 |
|---|---|
H Bond Acceptors |
3 |
H Bond Donors |
1 |
LogP |
-0.6364 |
Molecular Formula |
C5H5NNa2O5 |
Molecular Weight |
205.076 |
Safety Information of Sodium 2-acetamidomalonate
Applications of Sodium 2-acetamidomalonate
Sodium 2-acetamidomalonate finds various applications:
- Pharmaceuticals: It is used as a building block in the synthesis of pharmaceuticals due to its ability to form diverse derivatives.
- Biochemical Research: The compound serves as a substrate in enzymatic studies, particularly those involving proteases like chymotrypsin.
- Agricultural Chemicals: Its derivatives may be explored for use as herbicides or fungicides due to their biological activity.
Interaction Studies of Sodium 2-acetamidomalonate
Studies on sodium 2-acetamidomalonate have focused on its interactions with various enzymes and biological molecules:
- Chymotrypsin Interaction: The compound's hydrolysis by chymotrypsin provides insights into enzyme specificity and catalytic mechanisms.
- Reactivity with Amines: Its reactivity with primary amines can lead to the formation of amides, which are useful in medicinal chemistry.
Biological Activity of Sodium 2-acetamidomalonate
Sodium 2-acetamidomalonate exhibits significant biological activity:
- Enzymatic Hydrolysis: It has been studied for its hydrolysis by chymotrypsin, which indicates potential applications in enzymatic processes and biocatalysis.
- Antimicrobial Properties: Some derivatives of acetamidomalonate exhibit antimicrobial activity, making them candidates for pharmaceutical applications.
- Metabolic Intermediates: It may serve as an intermediate in metabolic pathways involving amino acids and fatty acids.
Physical sample testing spectrum (NMR) of Sodium 2-acetamidomalonate
