≥97% 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 | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxylic acid |
| InChIKey | PKLPIXGPPLQAQK-LBPRGKRZSA-N |
| INCHI | 1S/C14H18N2O5S/c1-10-4-6-11(7-5-10)22(20,21)15-9-13(17)16-8-2-3-12(16)14(18)19/h4-7,12,15H,2-3,8-9H2,1H3,(H,18,19)/t12-/m0/s1 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)O |
| Alternate CAS | 100723-71-5 |
| PubChem CID | 11921122 |
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 | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds N-acylpyrrolidines Pyrrolidine carboxylic acids Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Proline or derivatives - Alpha-amino acid amide - P-toluenesulfonamide - Alpha-amino acid or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Toluene - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Aminosulfonyl compound - Tertiary carboxylic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
| Molecular Weight | 326.370 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 326.094 Da |
| Monoisotopic Mass | 326.094 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| 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 |
