| CAS Number | 1251009-64-9 |
| Catalog Number | AG01EKDA |
| Chemical Name | 2-[(benzyloxy)carbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid |
| IUPAC Name | 2-phenylmethoxycarbonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid |
| InChI | InChI=1S/C17H21NO5/c19-15(20)14-10-18(12-17(14)6-8-22-9-7-17)16(21)23-11-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20) |
| InChI Key | LEWBEPAKAYGKGR-UHFFFAOYSA-N |
| MDL Number | MFCD31559148 |
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.3523 |
| SMILES | OC(C1C2(CCOCC2)CN(C(OCC2=CC=CC=C2)=O)C1)=O |
| Synonyms | 2-[(benzyloxy)carbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid,
2-((BENZYLOXY)CARBONYL)-8-OXA-2-AZASPIRO[4.5]DECANE-4-CARBOXYLIC ACID,
1251009-64-9,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.357g/mol |
| Monoisotopic Mass | 319.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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