| CAS Number | 1823807-74-4 |
| Catalog Number | AG019ES4(AGN-PC-0WG4VU) |
| Chemical Name | 6-BENZYL-2-(TERT-BUTOXYCARBONYL)-2,6-DIAZASPIRO[3.4]OCTANE-8-CARBOXYLIC ACID |
| IUPAC Name | 7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid |
| InChI | InChI=1S/C19H26N2O4/c1-18(2,3)25-17(24)21-12-19(13-21)11-20(10-15(19)16(22)23)9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,23) |
| InChI Key | OVYBWRQPZUHUFX-UHFFFAOYSA-N |
| MDL Number | MFCD24369442 |
| Molecular Formula | C19H26N2O4 |
| Molecular Weight | 346.4207 |
| SMILES | OC(=O)C1CN(CC21CN(C2)C(=O)OC(C)(C)C)Cc1ccccc1 |
| Synonyms | 6-benzyl-2-(tert-butoxycarbonyl)-2,6-diazaspiro[3.4]octane-8-carboxylic acid,
1823807-74-4,
MFCD24369442,
AKOS026717027,
CS-0036677,
F2147-4343,
6-Benzyl-2-(t-butoxycarbonyl)-2,6-diazaspiro[3.4]octane-8-carboxylic acid,
6-Benzyl-2,6-Diaza-Spiro[3.4]Octane-2,8-Dicarboxylic Acid 2-Tert-Butyl Ester,
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| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.427g/mol |
| Monoisotopic Mass | 346.189g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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