| CAS Number | 876592-69-7 |
| Catalog Number | AG01FLEX(AGN-PC-3H4B4N) |
| Chemical Name | tert-Butyl 1-oxo-4-(pyridin-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate |
| IUPAC Name | tert-butyl 1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C18H25N3O3/c1-17(2,3)24-16(23)21-9-6-18(7-10-21)14(12-20-15(18)22)13-5-4-8-19-11-13/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H,20,22) |
| InChI Key | MCMNWJRFJGAMES-UHFFFAOYSA-N |
| MDL Number | MFCD31652248 |
| Molecular Formula | C18H25N3O3 |
| Molecular Weight | 331.4094 |
| SMILES | O=C(N1CCC2(CC1)C(=O)NCC2c1cccnc1)OC(C)(C)C |
| Synonyms | tert-Butyl 1-oxo-4-(pyridin-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate,
CS-0080000,
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 1-oxo-4-(3-pyridinyl)-, 1,1-dimethylethyl ester,
876592-69-7,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.189592g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.4g/mol |
| Monoisotopic Mass | 331.189592g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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