| CAS Number | 1449586-26-8 |
| Catalog Number | AG001KDR(AGN-PC-0WGGL8) |
| Chemical Name | (2R,3R)-1-[(tert-butoxy)carbonyl]-3-cyclohexylpyrrolidine-2-carboxylate |
| IUPAC Name | (2R,3R)-3-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate |
| InChI | InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-10-9-12(13(17)14(18)19)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,18,19)/p-1/t12-,13-/m1/s1 |
| InChI Key | BMRSNFIPEDVKTG-CHWSQXEVSA-M |
| MDL Number | MFCD32206538 |
| Molecular Formula | C16H27NO4 |
| Molecular Weight | 297.3899 |
| SMILES | C(C)(C)(C)OC(=O)N1[C@H]([C@H](CC1)C1CCCCC1)C(=O)O |
| Synonyms | 1,2-Pyrrolidinedicarboxylic acid, 3-cyclohexyl-, 1-(1,1-dimethylethyl) ester, (2R,3R)-rel-,
1449586-26-8,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.186g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.387g/mol |
| Monoisotopic Mass | 296.186g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number