| CAS Number | 1445951-44-9 |
| Catalog Number | AG00HX4V(AGN-PC-0WG4N8) |
| Chemical Name | tert-butyl 3a-(hydroxymethyl)-octahydrocyclopenta[c]pyrrole-2-carboxylate |
| IUPAC Name | tert-butyl (3aR,6aR)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-10-5-4-6-13(10,8-14)9-15/h10,15H,4-9H2,1-3H3/t10-,13+/m0/s1 |
| InChI Key | BBMPPFABSXELKV-GXFFZTMASA-N |
| MDL Number | MFCD25509351 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | CC(OC(N1C[C@]2(CO)[C@@H](CCC2)C1)=O)(C)C |
| Synonyms | 1445951-44-9,
Cis-Tert-Butyl 3A-(Hydroxymethyl)Hexahydrocyclopenta[C]Pyrrole-2(1H)-Carboxylate,
MFCD25509351,
ZINC48056629,
CS-0037708,
cis-t-Butyl 3a-(hydroxymethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate,
tert-Butyl (3aR,6aR)-3a-(hydroxymethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number