| CAS Number | 1351143-94-6 |
| Catalog Number | AG00J2X5(AGN-PC-0WRAS1) |
| Chemical Name | Cis-tert-butyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate |
| IUPAC Name | tert-butyl (3aS,6aS)-4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate |
| InChI | InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1 |
| InChI Key | MZQZNAQWIOWKSR-RKDXNWHRSA-N |
| MDL Number | MFCD12198688 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | N1(C[C@@H]2[C@@H](C(CC2)=O)C1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl rac-(3aR,6aS)-4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate,
ZINC22015573,
AJ-80628,
CJ-17265,
1351143-94-6,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number