| CAS Number | 848593-18-0 |
| Catalog Number | AG00IDGR(AGN-PC-0UUQFD) |
| Chemical Name | 3-Benzyl 6-(tert-butyl) (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-3,6-dicarboxylate |
| IUPAC Name | 3-O-benzyl 6-O-tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-3,6-dicarboxylate |
| InChI | InChI=1S/C18H24N2O4/c1-18(2,3)24-17(22)20-10-14-9-19(11-15(14)20)16(21)23-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1 |
| InChI Key | GXIZSOVZVRKXEC-GJZGRUSLSA-N |
| MDL Number | MFCD18089865 |
| Molecular Formula | C18H24N2O4 |
| Molecular Weight | 332.3942 |
| SMILES | [C@H]12CN(C[C@@H]2N(C1)C(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1 |
| Synonyms | Cis-3-Benzyl6-Tert-Butyl3,6-Diazabicyclo[3.2.0]Heptane-3,6-Dicarboxylate,
ZINC91302877,
AM804854,
CS-0038671,
(1S,5R)-3-benzyl6-tert-butyl3,6-diazabicyclo[3.2.0]heptane-3,6-dicarboxylate,
3-O-Benzyl 6-O-tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-3,6-dicarboxylate,
848593-18-0,
|
| Complexity | 482 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.4g/mol |
| Monoisotopic Mass | 332.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number