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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CC2(C1)CC2NC(=O)OCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | tert-butyl 2-(phenylmethoxycarbonylamino)-5-azaspiro[2.3]hexane-5-carboxylate |
| InChIKey | CLHYNZFUPVRQML-UHFFFAOYSA-N |
| INCHI | 1S/C18H24N2O4/c1-17(2,3)24-16(22)20-11-18(12-20)9-14(18)19-15(21)23-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,21) |
| Molecular Weight | 332.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Azetidinecarboxylic acids Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzyloxycarbonyl - Azetidinecarboxylic acid - Carbamic acid ester - Azetidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 332.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 332.174 Da |
| Monoisotopic Mass | 332.174 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-Azaspiro[2.3]hexane-5-carboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester , CAS No.1251012-85-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)