≥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 | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C |
|---|---|
| IUPAC Name | 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-3-methylbutanoic acid |
| InChIKey | UIMYHFOCFBFYJN-UHFFFAOYSA-N |
| INCHI | 1S/C14H20N2O5S/c1-9(2)13(14(18)19)16-22(20,21)12-6-4-11(5-7-12)8-15-10(3)17/h4-7,9,13,16H,8H2,1-3H3,(H,15,17)(H,18,19) |
| Molecular Weight | 328.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Valine and derivatives |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Valine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Acetamide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 328.390 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 328.109 Da |
| Monoisotopic Mass | 328.109 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 490.000 |
| 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 |
![2-[4-(Acetamidomethyl)benzenesulfonamido]-3-methylbutanoic acid - ≥95% , CAS No.1008187-54-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)