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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)N1CCC2(C1)CO2 |
|---|---|
| IUPAC Name | tert-butyl 1-oxa-6-azaspiro[2.4]heptane-6-carboxylate |
| InChIKey | ZFNBSKYWLUKRRV-UHFFFAOYSA-N |
| INCHI | 1S/C10H17NO3/c1-9(2,3)14-8(12)11-5-4-10(6-11)7-13-10/h4-7H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC2(C1)CO2 |
| Molecular Weight | 199.25 |
| Reaxy-Rn | 18687833 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18687833&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Carbamate esters Tertiary amines Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Carbamic acid ester - Tertiary amine - Dialkyl ether - Oxirane - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 199.250 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 199.121 Da |
| Monoisotopic Mass | 199.121 Da |
| Topological Polar Surface Area | 42.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
![1-Oxa-5-azaspiro[2.4]heptane-5-carboxylic acid tert-butyl ester - CAS No(301226-25-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/1/O169389.png)