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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.
| Canonical Smiles | CC1(CN(C(CO1)C(=O)OC)C(=O)OC(C)(C)C)C |
|---|---|
| IUPAC Name | 4-O-tert-butyl 3-O-methyl 6,6-dimethylmorpholine-3,4-dicarboxylate |
| InChIKey | OQAXKPFDEGWERL-UHFFFAOYSA-N |
| INCHI | 1S/C13H23NO5/c1-12(2,3)19-11(16)14-8-13(4,5)18-7-9(14)10(15)17-6/h9H,7-8H2,1-6H3 |
| Molecular Weight | 273.33 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | 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 | Morpholine carboxylic acids Methyl esters Carbamate esters Tertiary amines Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Morpholine-4-carboxylic acid - Morpholine-3-carboxylic acid - Morpholine-4-carboxylic acid or derivatives - Morpholine-3-carboxylic acid or derivatives - Morpholine - Oxazinane - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Tertiary amine - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 273.330 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 273.158 Da |
| Monoisotopic Mass | 273.158 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| 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 |