| CAS Number | 2089093-10-5 |
| Catalog Number | AG01B5GN |
| Chemical Name | 2-Benzyl 1-tert-butyl pyrrolidine-1,2-dicarboxylate |
| IUPAC Name | 2-O-benzyl 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate |
| InChI | InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-11-7-10-14(18)15(19)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3 |
| InChI Key | DFBLOFPQNCBVTI-UHFFFAOYSA-N |
| MDL Number | MFCD24387973 |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.3688 |
| SMILES | CC(OC(N1C(C(OCC2=CC=CC=C2)=O)CCC1)=O)(C)C |
| Synonyms | 2-benzyl 1-tert-butyl pyrrolidine-1,2-dicarboxylate,
2089093-10-5,
SCHEMBL159105,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.374g/mol |
| Monoisotopic Mass | 305.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number