≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504764615 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764615 |
| Canonical Smiles | CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)O |
| IUPAC Name | (2S)-2-acetamido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid |
| InChIKey | NKNPTCBHHPHSEA-ZETCQYMHSA-N |
| INCHI | 1S/C10H17NO5/c1-6(12)11-7(9(14)15)5-8(13)16-10(2,3)4/h7H,5H2,1-4H3,(H,11,12)(H,14,15)/t7-/m0/s1 |
| Isomeric SMILES | CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O |
| Molecular Weight | 231.248 |
| Reaxy-Rn | 14198989 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14198989&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 | N-acyl-L-alpha-amino acids Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Aspartic acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen 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 |
|---|---|---|---|
 I2224017 | Certificate of Analysis | Jul 10, 2025 | A354240 |
| I2224019 | Certificate of Analysis | Jul 10, 2025 | A354240 |
| I2224621 | Certificate of Analysis | Jul 10, 2025 | A354240 |
| I2224622 | Certificate of Analysis | Jul 10, 2025 | A354240 |
| Molecular Weight | 231.250 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 231.111 Da |
| Monoisotopic Mass | 231.111 Da |
| Topological Polar Surface Area | 92.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
