≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCOC(=O)C1CN(CC1C(=O)OCC)CC2=CC=CC=C2 |
|---|---|
| IUPAC Name | diethyl (3R,4R)-1-benzylpyrrolidine-3,4-dicarboxylate |
| InChIKey | QXELSODIWMVNCI-GJZGRUSLSA-N |
| INCHI | 1S/C17H23NO4/c1-3-21-16(19)14-11-18(10-13-8-6-5-7-9-13)12-15(14)17(20)22-4-2/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-,15-/m0/s1 |
| Isomeric SMILES | CCOC(=O)[C@H]1CN(C[C@@H]1C(=O)OCC)CC2=CC=CC=C2 |
| PubChem CID | 13172073 |
| Molecular Weight | 305.374 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines N-alkylpyrrolidines Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 305.400 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 305.163 Da |
| Monoisotopic Mass | 305.163 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 353.000 |
| 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 |
