≥95% 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 | 488195958 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195958 |
| Canonical Smiles | CC(C)(C)OC(=O)C(CC(=O)N)N |
| IUPAC Name | tert-butyl (2S)-2,4-diamino-4-oxobutanoate |
| InChIKey | VLLGKVRQXXHELH-YFKPBYRVSA-N |
| INCHI | 1S/C8H16N2O3/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H2,10,11)/t5-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)[C@H](CC(=O)N)N |
| Molecular Weight | 188.2 |
| Reaxy-Rn | 1946338 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1946338&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 | Asparagine and derivatives |
| Alternative Parents | Alpha amino acid esters Fatty acid esters Fatty amides Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Asparagine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Fatty amide - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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 |
|---|---|---|---|
 C2219097 | Certificate of Analysis | Jan 19, 2026 | A113265 |
| C2219113 | Certificate of Analysis | Jan 19, 2026 | A113265 |
| A1816048 | Certificate of Analysis | Aug 18, 2025 | A113265 |
| B2327323 | Certificate of Analysis | Mar 07, 2023 | A113265 |
| B2327319 | Certificate of Analysis | Jan 20, 2022 | A113265 |
| E2311041 | Certificate of Analysis | Jan 20, 2022 | A113265 |
| J2531047 | Certificate of Analysis | Jan 20, 2022 | A113265 |
| Molecular Weight | 188.220 g/mol |
|---|---|
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 188.116 Da |
| Monoisotopic Mass | 188.116 Da |
| Topological Polar Surface Area | 95.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 |
