| CAS Number | 1549912-21-1 |
| Catalog Number | AG00HYAT(AGN-PC-0WQXT6) |
| Chemical Name | tert-Butyl hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate |
| InChI | InChI=1S/C12H21NO2/c1-12(2,3)15-11(14)13-7-9-5-4-6-10(9)8-13/h9-10H,4-8H2,1-3H3 |
| InChI Key | COUZDDDNQCVUDL-UHFFFAOYSA-N |
| MDL Number | MFCD23891658 |
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.3006 |
| SMILES | CC(C)(C)OC(=O)N1CC2CCCC2C1 |
| Synonyms | tert-Butyl hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate,
1549912-21-1,
(3R*, 6S*)-hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester,
926276-08-6,
SCHEMBL500506,
(3aR,6aS)-tert-Butyl hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate,
SCHEMBL16055643,
COUZDDDNQCVUDL-UHFFFAOYSA-N,
MFCD23891658,
AKOS018967711,
AS-41714,
N-tert-butyloxycarbonyl-octahydrocyclopenta[c]pyrrole,
N-tert-butyloxycarbonyl-octahydrocyclopenta-[c]pyrrole,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.305g/mol |
| Monoisotopic Mass | 211.157g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number