| CAS Number | 2007920-00-3 |
| Catalog Number | AG01DG3P |
| Chemical Name | 8-Benzyl 1-tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate |
| IUPAC Name | 8-O-benzyl 1-O-tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate |
| InChI | InChI=1S/C21H28N2O5/c1-20(2,3)28-19(26)23-17(24)9-10-21(23)11-13-22(14-12-21)18(25)27-15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3 |
| InChI Key | GNGIBMWWCYZLQY-UHFFFAOYSA-N |
| MDL Number | MFCD30472129 |
| Molecular Formula | C21H28N2O5 |
| Molecular Weight | 388.4574 |
| SMILES | O=C(N1CCC2(CC1)CCC(=O)N2C(=O)OC(C)(C)C)OCc1ccccc1 |
| Synonyms | 8-Benzyl 1-tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate,
2007920-00-3,
MFCD30472129,
AKOS030628427,
ZINC498051064,
8-Benzyl 1-t-butyl 2-oxo-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate,
N/A,
|
| Complexity | 598 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.464g/mol |
| Monoisotopic Mass | 388.2g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number