≥99% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187461 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187461 |
| Canonical Smiles | CC(C)C(C(=O)OC)N.Cl |
| IUPAC Name | methyl (2S)-2-amino-3-methylbutanoate;hydrochloride |
| InChIKey | KUGLDBMQKZTXPW-JEDNCBNOSA-N |
| INCHI | 1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)OC)N.Cl |
| WGK Germany | 3 |
| Molecular Weight | 167.63 |
| Beilstein | 3594960 |
| Reaxy-Rn | 3912090 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912090&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 | Alpha amino acid esters |
| Alternative Parents | Valine and derivatives Fatty acid esters Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Valine or derivatives - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrochloride - Organic oxygen compound - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| 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 |
|---|---|---|---|
 A2210055 | Certificate of Analysis | Oct 13, 2025 | V105985 |
| K2129552 | Certificate of Analysis | Sep 08, 2025 | V105985 |
| K1722115 | Certificate of Analysis | Jun 12, 2025 | V105985 |
| K1722116 | Certificate of Analysis | Jun 12, 2025 | V105985 |
| C2518609 | Certificate of Analysis | Mar 03, 2025 | V105985 |
| C2518610 | Certificate of Analysis | Mar 03, 2025 | V105985 |
| C2518611 | Certificate of Analysis | Mar 03, 2025 | V105985 |
| C2518612 | Certificate of Analysis | Mar 03, 2025 | V105985 |
| K2414362 | Certificate of Analysis | Jul 08, 2024 | V105985 |
| K2414363 | Certificate of Analysis | Jul 08, 2024 | V105985 |
| B2317307 | Certificate of Analysis | Feb 25, 2023 | V105985 |
| A1904252 | Certificate of Analysis | Oct 20, 2022 | V105985 |
| A1904251 | Certificate of Analysis | Oct 20, 2022 | V105985 |
| Solubility | Soluble in water |
|---|---|
| Specific Rotation[α] | [α]D 15.5° (C=2,H2O) |
| Melt Point(°C) | 171-173°C |
| Molecular Weight | 167.630 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 167.071 Da |
| Monoisotopic Mass | 167.071 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 | 2 |
| 1. Luyao Zheng, Zhiyuan Zhao, Ye Yang, Yaming Li, Chengxiao Wang. (2020) Novel skin permeation enhancers based on amino acid ester ionic liquid: Design and permeation mechanism. INTERNATIONAL JOURNAL OF PHARMACEUTICS, [PMID:31953082] [10.1016/j.ijpharm.2020.119031] |
