≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C)(C)OC(=O)NC(CC(CC#N)C(=O)OC)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl (2R,4S)-2-(cyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate |
| InChIKey | QVTOOWHELURIDU-UWVGGRQHSA-N |
| INCHI | 1S/C14H22N2O6/c1-14(2,3)22-13(19)16-10(12(18)21-5)8-9(6-7-15)11(17)20-4/h9-10H,6,8H2,1-5H3,(H,16,19)/t9-,10-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](C[C@H](CC#N)C(=O)OC)C(=O)OC |
| PubChem CID | 11472488 |
| Molecular Weight | 314.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Carbamate esters Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic 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 | 314.330 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 314.148 Da |
| Monoisotopic Mass | 314.148 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 460.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
