Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)C1CC2CC2N1C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | 2-O-tert-butyl 3-O-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate |
| InChIKey | QHWOZJGWXZDMDZ-GUBZILKMSA-N |
| INCHI | 1S/C13H21NO4/c1-5-17-11(15)10-7-8-6-9(8)14(10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9-,10-/m0/s1 |
| Isómeros SMILES | CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)OC(C)(C)C |
| Peso molecular | 255.31 |
| Reaxy-Rn | 35702214 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35702214&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Piperidinecarboxylic acids Pyrrolidine carboxylic acids Carbamate esters Tertiary amines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Carbamic acid ester - Pyrrolidine - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 255.310 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 255.147 Da |
| Monoisotopic Mass | 255.147 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 360.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |