| CAS Number | 1807916-65-9 |
| Catalog Number | AG01C39O(AGN-PC-0WO4SK) |
| Chemical Name | Rac-(3r,4r)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid |
| IUPAC Name | (3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid |
| InChI | InChI=1S/C11H17NO6/c1-11(2,3)18-10(17)12-4-6(8(13)14)7(5-12)9(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-/m0/s1 |
| InChI Key | CEWHNBGJGPXFED-BQBZGAKWSA-N |
| MDL Number | MFCD15071835 |
| Molecular Formula | C11H17NO6 |
| Molecular Weight | 259.2558 |
| SMILES | O=C([C@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1C(O)=O)O |
| Synonyms | 865451-68-9,
SCHEMBL1052921,
1807916-65-9,
ZINC90225773,
AKOS023401006,
NE44117,
EN300-126101,
(3R,4R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid,
trans-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid,
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid,
1-(tert-Butoxycarbonyl)pyrrolidine-3,4-dicarboxylic acid,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.258g/mol |
| Monoisotopic Mass | 259.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number