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.
| ALogP | 1.3 |
|---|
| Sonrisas canónicas | CCOC(=O)C12CCC(CC1)(CC2)NCC(=O)N3CC(CC3C#N)F |
|---|---|
| IUPAC Name | ethyl 4-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate |
| InChIKey | AKFNKZFJBFQFAA-DIOPXHOYSA-N |
| INCHI | 1S/C18H26FN3O3/c1-2-25-16(24)17-3-6-18(7-4-17,8-5-17)21-11-15(23)22-12-13(19)9-14(22)10-20/h13-14,21H,2-9,11-12H2,1H3/t13-,14-,17?,18?/m0/s1 |
| Isómeros SMILES | CCOC(=O)C12CCC(CC1)(CC2)NCC(=O)N3C[C@H](C[C@H]3C#N)F |
| PubChem CID | 11688894 |
| Peso molecular | 351.4 |
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 amides |
| Alternative Parents | N-acylpyrrolidines Tertiary carboxylic acid amides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - N-acylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Cyanide - Alkyl fluoride - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Organic oxide - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 351.400 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 351.196 Da |
| Monoisotopic Mass | 351.196 Da |
| Topological Polar Surface Area | 82.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 575.000 |
| 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 |
