≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Shipped at room temperature. Store at -20°C.
| Canonical Smiles | C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N.Cl |
|---|---|
| IUPAC Name | (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile;hydrochloride |
| InChIKey | RHCWAHDCHQTNBR-IWKKHLOMSA-N |
| INCHI | 1S/C14H20N4O2.ClH/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14;/h11-12,17,19H,1-6,9-10H2;1H/t11-,12+; |
| Isomeric SMILES | C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N.Cl |
| PubChem CID | 11381415 |
| Molecular Weight | 276.333646 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 amides |
| Alternative Parents | N-acylpyrrolidines Tertiary carboxylic acid amides 1,2-aminoalcohols Nitriles Dialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - N-acylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - 1,2-aminoalcohol - Carboxamide group - Secondary aliphatic amine - Azacycle - Carbonitrile - Organoheterocyclic compound - Secondary amine - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Amine - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound |
| Description | 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 |
| Solubility | Soluble in DMSO to 100 mM and in water to 50 mM |
|---|---|
| Molecular Weight | 312.790 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 312.135 Da |
| Monoisotopic Mass | 312.135 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| 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 | 2 |
