≥99% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504755701 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755701 |
| Canonical Smiles | CC(C)C(C(=O)O)NC(=O)OC(C)(C)C |
| IUPAC Name | (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChIKey | SZXBQTSZISFIAO-ZETCQYMHSA-N |
| INCHI | 1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |
| WGK Germany | 3 |
| Molecular Weight | 217.26 |
| Beilstein | 1711290 |
| Reaxy-Rn | 1106741 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1106741&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 | Valine and derivatives |
| Alternative Parents | Methyl-branched fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Valine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2504897 | Certificate of Analysis | Mar 23, 2024 | B105468 |
| J1516061 | Certificate of Analysis | Jun 07, 2023 | B105468 |
| B23021009 | Certificate of Analysis | Jan 02, 2023 | B105468 |
| B2302940 | Certificate of Analysis | Jan 02, 2023 | B105468 |
| B2302950 | Certificate of Analysis | Jan 02, 2023 | B105468 |
| B2302954 | Certificate of Analysis | Jan 02, 2023 | B105468 |
| K2420658 | Certificate of Analysis | Jan 02, 2023 | B105468 |
| Solubility | Insoluble in water. |
|---|---|
| Specific Rotation[α] | -6.5 ° (C=1, AcOH) |
| Melt Point(°C) | 75-80°C |
| Molecular Weight | 217.260 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 217.131 Da |
| Monoisotopic Mass | 217.131 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
| 1. Mingxia Liu, Lixia Chen, Tingting Tian, Zhiguo Zhang, Xiangjun Li. (2019) Identification and Quantitation of Enantiomers by Capillary Electrophoresis and Circular Dichroism Independent of Single Enantiomer Standard. ANALYTICAL CHEMISTRY, [PMID:31591882] [10.1021/acs.analchem.9b03276] |
| 2. Jing Ni, Yue Zhang, Shaowei Zhai, Hejian Xiong, Yanlin Ming, Ying Ma. (2024) Preparation of valine-curcumin conjugate and its in vitro antibacterial and antitumor activity and in vivo biological effects on American eels (Anguilla rostrata). FISH & SHELLFISH IMMUNOLOGY, [PMID:38719095] [10.1016/j.fsi.2024.109615] |
