≥98% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192643 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192643 |
| Canonical Smiles | CC(C)(C)C(C(=O)O)NC(=O)OC(C)(C)C |
| IUPAC Name | (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChIKey | LRFZIPCTFBPFLX-SSDOTTSWSA-N |
| INCHI | 1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1 |
| Isomeric SMILES | CC(C)(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |
| WGK Germany | 3 |
| Molecular Weight | 231.29 |
| Beilstein | 1962763 |
| Reaxy-Rn | 8904344 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8904344&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 |
|---|---|---|---|
 F2217031 | Certificate of Analysis | Apr 02, 2026 | T115905 |
| I1401030 | Certificate of Analysis | Mar 20, 2026 | T115905 |
| H1816111 | Certificate of Analysis | Mar 20, 2026 | T115905 |
| H1816110 | Certificate of Analysis | Mar 20, 2026 | T115905 |
| F2216229 | Certificate of Analysis | Mar 18, 2026 | T115905 |
| F2216230 | Certificate of Analysis | Mar 18, 2026 | T115905 |
| F2216231 | Certificate of Analysis | Mar 18, 2026 | T115905 |
| F2216233 | Certificate of Analysis | Mar 18, 2026 | T115905 |
| K2414270 | Certificate of Analysis | Jul 08, 2024 | T115905 |
| K2414271 | Certificate of Analysis | Jul 08, 2024 | T115905 |
| K2420103 | Certificate of Analysis | Jul 08, 2024 | T115905 |
| C1518067 | Certificate of Analysis | Nov 10, 2022 | T115905 |
| Solubility | Soluble in Methanol |
|---|---|
| Specific Rotation[α] | -4° (C=1,AcOH) |
| Melt Point(°C) | 118-121°C |
| Molecular Weight | 231.290 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 231.147 Da |
| Monoisotopic Mass | 231.147 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| 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. Jing Huang, Zhuo Yao, Bowen Li, Yuan Ping. (2023) Targeted delivery of PROTAC-based prodrug activated by bond-cleavage bioorthogonal chemistry for microneedle-assisted cancer therapy. JOURNAL OF CONTROLLED RELEASE, [PMID:37541594] [10.1016/j.jconrel.2023.07.062] |
| 2. Bin Hu, Jiani Liu, Chengwen Deng, Youmei Xing, Min Gong, Zhen Wu, Guojie Wang. (2025) Multifunctional pH-Responsive Gemini Surfactant. Small, [PMID:40641233] [10.1002/smll.202506161] |
