| CAS Number | 871727-75-2 |
| Catalog Number | AG01DLZE(AGN-PC-0OKVES) |
| Chemical Name | ETHYL (2R,4R)-1-BOC-4-METHYL-5-OXOPYRROLIDINE-2-CARBOXYLATE |
| IUPAC Name | 1-O-tert-butyl 2-O-ethyl 4-methyl-5-oxopyrrolidine-1,2-dicarboxylate |
| InChI | InChI=1S/C13H21NO5/c1-6-18-11(16)9-7-8(2)10(15)14(9)12(17)19-13(3,4)5/h8-9H,6-7H2,1-5H3 |
| InChI Key | WZKJJCVPZFSEJO-UHFFFAOYSA-N |
| MDL Number | MFCD28053763 |
| Molecular Formula | C13H21NO5 |
| Molecular Weight | 271.3095 |
| SMILES | CCOC(=O)[C@H]1C[C@H](C(=O)N1C(=O)OC(C)(C)C)C |
| Synonyms | (2R,4R)-1-tert-Butyl 2-ethyl 4-methyl-5-oxopyrrolidine-1,2-dicarboxylate,
871727-75-2,
SCHEMBL15896630,
(2S,4S)-1-tert-Butyl 2-ethyl 4-methyl-5-oxopyrrolidine-1,2-dicarboxylate,
553679-44-0,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.313g/mol |
| Monoisotopic Mass | 271.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number