| CAS Number | 1314388-77-6 |
| Catalog Number | AG01DTCA(AGN-PC-0WNQRV) |
| Chemical Name | 6-[(tert-butoxy)carbonyl]-6-azaspiro[3.4]octane-8-carboxylic acid |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-8-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-9(10(15)16)13(8-14)5-4-6-13/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | JRJNPYDJNKNDJO-UHFFFAOYSA-N |
| MDL Number | MFCD20230615 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | C(C)(C)(C)OC(=O)N1CC2(CCC2)C(C1)C(=O)O |
| Synonyms | 1314388-77-6,
6-(tert-Butoxycarbonyl)-6-azaspiro[3.4]octane-8-carboxylic acid,
6-[(tert-Butoxy)carbonyl]-6-azaspiro[3.4]octane-8-carboxylic acid,
AKOS034126598,
CS-0058014,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number