≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 | CC1(CCN(CC1)C2=NC=CC=N2)NCC(=O)N3CCCC3C#N |
|---|---|
| IUPAC Name | (2S)-1-[2-[(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile |
| InChIKey | JERPHRNGJBSFAP-AWEZNQCLSA-N |
| INCHI | 1S/C17H24N6O/c1-17(21-13-15(24)23-9-2-4-14(23)12-18)5-10-22(11-6-17)16-19-7-3-8-20-16/h3,7-8,14,21H,2,4-6,9-11,13H2,1H3/t14-/m0/s1 |
| Isomeric SMILES | CC1(CCN(CC1)C2=NC=CC=N2)NCC(=O)N3CCC[C@H]3C#N |
| Molecular Weight | 328.41 |
| Reaxy-Rn | 29790349 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29790349&ln= |
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 Dialkylarylamines Aminopyrimidines and derivatives Aminopiperidines Tertiary carboxylic acid amides Heteroaromatic compounds Nitriles Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - N-acylpyrrolidine - Dialkylarylamine - 4-aminopiperidine - Aminopyrimidine - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Cyanide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Aromatic 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 | Solvent:1eq. HCl, Max Conc. mg/mL: 16.42, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 32.84, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 328.400 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 328.201 Da |
| Monoisotopic Mass | 328.201 Da |
| Topological Polar Surface Area | 85.200 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 487.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
