≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488198737 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198737 |
| Canonical Smiles | CC(C)(C)OC(=O)NC(CC(=O)OCC=C)C(=O)O |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-prop-2-enoxybutanoic acid |
| InChIKey | WZMNSEVEWIDHND-QMMMGPOBSA-N |
| INCHI | 1S/C12H19NO6/c1-5-6-18-9(14)7-8(10(15)16)13-11(17)19-12(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,15,16)/t8-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC=C)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 273.28 |
| Reaxy-Rn | 8987080 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8987080&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 | Aspartic acid and derivatives |
| Alternative Parents | Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Aspartic acid or derivatives - Branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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 |
|---|---|---|---|
 C2006142 | Certificate of Analysis | Jul 09, 2025 | B166964 |
| C2520349 | Certificate of Analysis | Dec 09, 2024 | B166964 |
| C2520350 | Certificate of Analysis | Dec 09, 2024 | B166964 |
| C2520353 | Certificate of Analysis | Dec 09, 2024 | B166964 |
| C2520354 | Certificate of Analysis | Dec 09, 2024 | B166964 |
| C2520355 | Certificate of Analysis | Dec 09, 2024 | B166964 |
| Molecular Weight | 273.280 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 273.121 Da |
| Monoisotopic Mass | 273.121 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |
