| CAS Number | 934470-83-4 |
| Catalog Number | AG00IHMC(AGN-PC-0WAHX7) |
| Chemical Name | (2S,4R)-Boc-4-cyclohexyl-pyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S,4R)-4-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1 |
| InChI Key | PVYGHRWCXWTYGS-STQMWFEESA-N |
| MDL Number | MFCD26793863 |
| Molecular Formula | C16H27NO4 |
| Molecular Weight | 297.3899 |
| SMILES | O=C(N1CC(CC1C(=O)O)C1CCCCC1)OC(C)(C)C |
| Synonyms | (2S,4R)-Boc-4-cyclohexyl-pyrrolidine-2-carboxylic acid,
934470-83-4,
SCHEMBL5207430,
(2S,4R)-1-(tert-Butoxycarbonyl)-4-cyclohexylpyrrolidine-2-carboxylic acid,
ZINC6882685,
4241AH,
MFCD26793863,
AKOS027257490,
C16H27NO4,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.395g/mol |
| Monoisotopic Mass | 297.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number