≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504770526 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770526 |
| Canonical Smiles | CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C.O |
| IUPAC Name | (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate |
| InChIKey | NYGJSARLXBZKTA-AQHOMMPKSA-N |
| INCHI | 1S/2C11H21NO4.H2O/c2*1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h2*7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1 |
| Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.O |
| Molecular Weight | 240.07 (231.06anhy) |
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 | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Isoleucine and derivatives |
| Alternative Parents | Methyl-branched fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Isoleucine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2525124 | Certificate of Analysis | Sep 02, 2025 | B357021 |
| H2522147 | Certificate of Analysis | Aug 30, 2025 | B357021 |
| H2522148 | Certificate of Analysis | Aug 30, 2025 | B357021 |
| H2522149 | Certificate of Analysis | Aug 30, 2025 | B357021 |
| H2522155 | Certificate of Analysis | Aug 30, 2025 | B357021 |
| C2210479 | Certificate of Analysis | Dec 18, 2024 | B357021 |
| C2210484 | Certificate of Analysis | Dec 18, 2024 | B357021 |
| C2210551 | Certificate of Analysis | Dec 18, 2024 | B357021 |
| Melt Point(°C) | 67-70°C |
|---|---|
| Molecular Weight | 480.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 480.305 Da |
| Monoisotopic Mass | 480.305 Da |
| Topological Polar Surface Area | 152.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 | 3 |
