≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
L-Alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. L-Alloisoleucine is a common constituent of human plasma.
| Pubchem Sid | 504756431 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756431 |
| Canonical Smiles | CCC(C)C(C(=O)O)N |
| IUPAC Name | (2S,3R)-2-amino-3-methylpentanoic acid |
| InChIKey | AGPKZVBTJJNPAG-UHNVWZDZSA-N |
| INCHI | 1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 |
| Isomeric SMILES | CC[C@@H](C)[C@@H](C(=O)O)N |
| WGK Germany | 3 |
| Molecular Weight | 131.17 |
| Beilstein | 1721791 |
| Reaxy-Rn | 1721790 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721790&ln= |
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 | L-alpha-amino acids Methyl-branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isoleucine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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 | non-proteinogenic L-alpha-amino acid - alloisoleucine |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2628191 | Certificate of Analysis | Mar 22, 2025 | I113733 |
| H2504499 | Certificate of Analysis | Mar 22, 2025 | I113733 |
| H2504530 | Certificate of Analysis | Mar 22, 2025 | I113733 |
| H2512593 | Certificate of Analysis | Mar 22, 2025 | I113733 |
| B2320290 | Certificate of Analysis | Jan 06, 2023 | I113733 |
| B2320294 | Certificate of Analysis | Jan 06, 2023 | I113733 |
| B2320296 | Certificate of Analysis | Jan 06, 2023 | I113733 |
| L1821028 | Certificate of Analysis | Oct 18, 2022 | I113733 |
| L1821027 | Certificate of Analysis | Oct 18, 2022 | I113733 |
| B2217088 | Certificate of Analysis | Feb 19, 2022 | I113733 |
| Specific Rotation[α] | 37° (C=4,6mol/L HCl) |
|---|---|
| Melt Point(°C) | 272 °C(dec.) |
| Molecular Weight | 131.170 g/mol |
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 131.095 Da |
| Monoisotopic Mass | 131.095 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 103.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
| 1. Bochuan Yuan, Ziwei Wu, Wei Ji, Dong Liu, Xiang Guo, Donghui Yang, Aili Fan, Hongli Jia, Ming Ma, Wenhan Lin. (2021) Discovery of cyclohexadepsipeptides with anti-Zika virus activities and biosynthesis of the nonproteinogenic building block (3S)-methyl-l-proline. JOURNAL OF BIOLOGICAL CHEMISTRY, 297 (1): [PMID:34029593] [10.1016/j.jbc.2021.100822] |
