≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504772078 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772078 |
| Canonical Smiles | C1CC(NC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(F)(F)F)O |
| IUPAC Name | (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid |
| InChIKey | KYRVEVYREUUAKH-PPHPATTJSA-N |
| INCHI | 1S/C11H13N3O3.C2HF3O2/c15-11(10-2-1-7-12-10)13-8-3-5-9(6-4-8)14(16)17;3-2(4,5)1(6)7/h3-6,10,12H,1-2,7H2,(H,13,15);(H,6,7)/t10-;/m0./s1 |
| Isomeric SMILES | C1C[C@H](NC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(F)(F)F)O |
| PubChem CID | 71312105 |
| Molecular Weight | 349.26 |
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 | Proline and derivatives |
| Alternative Parents | Alpha amino acid amides Anilides Nitrobenzenes Pyrrolidinecarboxamides Nitroaromatic compounds N-arylamides Alpha-halocarboxylic acids Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organofluorides Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Proline or derivatives - Alpha-amino acid amide - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Azacycle - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Organic zwitterion - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2223692 | Certificate of Analysis | Jun 09, 2026 | S138002 |
| K2223699 | Certificate of Analysis | Jun 09, 2026 | S138002 |
| K2223710 | Certificate of Analysis | Jun 09, 2026 | S138002 |
| F2601108 | Certificate of Analysis | Jun 03, 2026 | S138002 |
| B1914094 | Certificate of Analysis | Apr 10, 2023 | S138002 |
| B1914093 | Certificate of Analysis | Oct 18, 2022 | S138002 |
| H2230025 | Certificate of Analysis | Sep 01, 2022 | S138002 |
| Molecular Weight | 349.260 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 349.089 Da |
| Monoisotopic Mass | 349.089 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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 | 2 |
| 1. Mingyue Zhang, Jiani Pu, Yushan Cui, Jianan Sun, Hao Dong, Xiangzhao Mao. (2024) In Silico Enzymolysis-Guided Mining of Aminopeptidases with Molecular Insights into Their Substrate Specificity Mechanism. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39635764] [10.1021/acs.jafc.4c07713] |
