| CAS Number | 1803599-14-5 |
| Catalog Number | AG01B88J |
| Chemical Name | 1-Tert-butyl 3-methyl 2-methylpyrrolidine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl 2-methylpyrrolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C12H21NO4/c1-8-9(10(14)16-5)6-7-13(8)11(15)17-12(2,3)4/h8-9H,6-7H2,1-5H3 |
| InChI Key | FXGNPVCOVMTUBO-UHFFFAOYSA-N |
| MDL Number | MFCD28348060 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | COC(C1C(C)N(C(OC(C)(C)C)=O)CC1)=O |
| Synonyms | 1803599-14-5,
1-(tert-Butyl) 3-methyl 2-methylpyrrolidine-1,3-dicarboxylate,
AKOS033594481,
1-tert-butyl 3-methyl 2-methylpyrrolidine-1,3-dicarboxylate,
1-tert-butyl 3-methyl 2-methylpyrrolidine-1,3-dicarboxylate, Mixture of diastereomers,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number