≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)O |
|---|---|
| IUPAC Name | 1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChIKey | ZGXACHDARDLPSU-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O6S/c18-14-9-11(15(19)20)10-17(14)12-1-3-13(4-2-12)24(21,22)16-5-7-23-8-6-16/h1-4,11H,5-10H2,(H,19,20) |
| Molecular Weight | 354.400 |
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 | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Organosulfonamides Morpholines Tertiary carboxylic acid amides Sulfonyls Pyrroles Lactams Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Benzenesulfonamide - Benzenesulfonyl group - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Organosulfonic acid amide - Pyrrolidone - 2-pyrrolidone - Pyrrole - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 354.400 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 354.089 Da |
| Monoisotopic Mass | 354.089 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![1-[4-(Morpholin-4-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid - ≥95% CAS No(847587-45-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M968124.jpg)