| CAS Number | 153180-28-0 |
| Catalog Number | AG019V6L |
| Chemical Name | 1,3-Diethyl 2-(2-methylpropanamido)propanedioate |
| IUPAC Name | diethyl 2-(2-methylpropanoylamino)propanedioate |
| InChI | InChI=1S/C11H19NO5/c1-5-16-10(14)8(11(15)17-6-2)12-9(13)7(3)4/h7-8H,5-6H2,1-4H3,(H,12,13) |
| InChI Key | WWYZLQQYWMHZBS-UHFFFAOYSA-N |
| MDL Number | MFCD12644195 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | CCOC(C(C(OCC)=O)NC(C(C)C)=O)=O |
| Synonyms | 1,3-diethyl 2-(2-methylpropanamido)propanedioate,
153180-28-0,
AC1Q325B,
SCHEMBL9510548,
Diethyl ((isobutyryl)amino)malonate,
ZINC34412919,
AKOS006037843,
MCULE-7645588988,
NE30649,
EN300-43887,
Z254275732,
Diethyl [(isobutyryl)amino]malonate,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number