| CAS Number | 1788041-51-9 |
| Catalog Number | AG0026CJ(AGN-PC-0WBRLL) |
| Chemical Name | 5-Azaspiro[3.5]nonane-5-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-oxo-5-azaspiro[3.5]nonane-5-carboxylate |
| InChI | InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-7-5-4-6-13(14)8-10(15)9-13/h4-9H2,1-3H3 |
| InChI Key | NHKKYMZPVPTITK-UHFFFAOYSA-N |
| MDL Number | MFCD28501479 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | O=C(N(CCCC1)C21CC(C2)=O)OC(C)(C)C |
| Synonyms | tert-Butyl 2-oxo-5-azaspiro[3.5]nonane-5-carboxylate,
1788041-51-9,
MFCD28501479,
AKOS025289717,
ZINC250592784,
5-Boc-5-azaspiro[3.5]nonane-2-one,
FCH3827555,
KS-0000052J,
AK171188,
AS-52292,
CS-0048404,
tert-Butyl 2-oxo-9-azaspiro[3.5]nonane-9-carboxylate,
5-Azaspiro[3.5]nonane-5-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number