| CAS Number | 1290627-02-9 |
| Catalog Number | AG00HRWC(AGN-PC-0WG4JH) |
| Chemical Name | 6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate |
| InChI | InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-9-18(12-20)14(11-19-15(18)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,21) |
| InChI Key | GNEASONALBKLGH-UHFFFAOYSA-N |
| MDL Number | MFCD19442515 |
| Molecular Formula | C18H24N2O3 |
| Molecular Weight | 316.3948 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(C1)C(CNC2=O)c1ccccc1 |
| Synonyms | 1290627-02-9,
6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester,
tert-butyl 6-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate,
SCHEMBL14057437,
GNEASONALBKLGH-UHFFFAOYSA-N,
MFCD19442515,
AM804924,
CS-0038898,
6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid t-butyl ester,
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| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.401g/mol |
| Monoisotopic Mass | 316.179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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