Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥98% 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.
| Pubchem Sid | 488188513 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188513 |
| Canonical Smiles | CCOC(=O)CNC(=O)C1CCCN1C(=O)CC2=CC=CC=C2 |
| IUPAC Name | ethyl 2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]acetate |
| InChIKey | PJNSMUBMSNAEEN-AWEZNQCLSA-N |
| INCHI | 1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1 |
| Isomeric SMILES | CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC2=CC=CC=C2 |
| RTECS | MC0814400 |
| Molecular Weight | 318.37 |
| Reaxy-Rn | 30236162 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30236162&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 | Not available |
| Direct Parent | Peptides |
| Alternative Parents | Alpha amino acid esters N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Phenylacetamides Pyrrolidinecarboxamides N-acylpyrrolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha peptide - Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 15, 2025 | N126590 | |
| Certificate of Analysis | Dec 15, 2025 | N126590 | |
| Certificate of Analysis | Nov 04, 2025 | N126590 | |
| Certificate of Analysis | Nov 04, 2025 | N126590 | |
| Certificate of Analysis | Jun 11, 2025 | N126590 | |
| Certificate of Analysis | Mar 14, 2025 | N126590 | |
| Certificate of Analysis | Feb 19, 2025 | N126590 | |
| Certificate of Analysis | Jan 13, 2025 | N126590 | |
| Certificate of Analysis | Nov 14, 2024 | N126590 | |
| Certificate of Analysis | Mar 05, 2024 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 | |
| Certificate of Analysis | Feb 25, 2023 | N126590 |
| Solubility | solubility in DMSO:20 mg/mL, clear |
|---|---|
| Sensitivity | Heat sensitive |
| Specific Rotation[α] | -116° (C=0.4,CHCl3) |
| Melt Point(°C) | 96 °C |
| Molecular Weight | 318.400 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 318.158 Da |
| Monoisotopic Mass | 318.158 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 432.000 |
| 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 |