| CAS Number | 42783-81-3 |
| Catalog Number | AG019SGS(AGN-PC-0WNO45) |
| Chemical Name | 2-(dimethylcarbamoyl)acetic acid |
| IUPAC Name | 3-(dimethylamino)-3-oxopropanoic acid |
| InChI | InChI=1S/C5H9NO3/c1-6(2)4(7)3-5(8)9/h3H2,1-2H3,(H,8,9) |
| InChI Key | AKDXGMLXZNIGBD-UHFFFAOYSA-N |
| MDL Number | MFCD06208070 |
| Molecular Formula | C5H9NO3 |
| Molecular Weight | 131.1299 |
| SMILES | CN(C(CC(O)=O)=O)C |
| Synonyms | 2-(dimethylcarbamoyl)acetic acid,
42783-81-3,
3-(dimethylamino)-3-oxopropanoic acid,
propanoic acid, 3-(dimethylamino)-3-oxo,
malonic acid bismethylamide,
SCHEMBL53024,
AKDXGMLXZNIGBD-UHFFFAOYSA-N,
N,N-Dimethyl-3-oxo-Beta-alanine,
MFCD06208070,
ZINC20205176,
AKOS008153595,
3-Oxo-3-(dimethylamino)propionic acid,
MCULE-6715213324,
NE39726,
BS-13114,
Propanoic acid, 3-(dimethylamino)-3-oxo-,
EN300-93573,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.131g/mol |
| Monoisotopic Mass | 131.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number