≥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 | COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCC(=O)O |
|---|---|
| IUPAC Name | 4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoic acid |
| InChIKey | QHJPFVCKBIQIHJ-UHFFFAOYSA-N |
| INCHI | 1S/C13H15NO5S/c1-19-13(18)11-7-3-2-4-8(7)20-12(11)14-9(15)5-6-10(16)17/h2-6H2,1H3,(H,14,15)(H,16,17) |
| Isomeric SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCC(=O)O |
| PubChem CID | 3115388 |
| Molecular Weight | 297.33 |
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 | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids and derivatives |
| Alternative Parents | N-arylamides Fatty amides Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - N-arylamide - Fatty amide - Fatty acyl - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof). |
| External Descriptors | Not available |
| Molecular Weight | 297.330 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 297.067 Da |
| Monoisotopic Mass | 297.067 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
![4-((3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino)-4-oxobutanoic acid - ≥95% , CAS No.328025-47-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)