| CAS Number | 2126163-51-5 |
| Catalog Number | AG01E7GI |
| Chemical Name | 3-[(tert-butoxy)carbonyl]-3-azaspiro[5.5]undecane-7-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azaspiro[5.5]undecane-11-carboxylic acid |
| InChI | InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17)7-5-4-6-12(16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19) |
| InChI Key | PQJHTRYGKRKXJZ-UHFFFAOYSA-N |
| MDL Number | MFCD30751489 |
| Molecular Formula | C16H27NO4 |
| Molecular Weight | 297.3899 |
| SMILES | CC(OC(N1CCC2(C(C(O)=O)CCCC2)CC1)=O)(C)C |
| Synonyms | 3-(tert-Butoxycarbonyl)-3-azaspiro[5.5]undecane-7-carboxylic acid,
AKOS034062754,
CS-0067406,
2126163-51-5,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.194008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.39g/mol |
| Monoisotopic Mass | 297.194008g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number