≥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 | 488195954 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195954 |
| Canonical Smiles | COC(=O)C(CC(=O)O)N |
| IUPAC Name | (3S)-3-amino-4-methoxy-4-oxobutanoic acid |
| InChIKey | SWWBMHIMADRNIK-VKHMYHEASA-N |
| INCHI | 1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1 |
| Isomeric SMILES | COC(=O)[C@H](CC(=O)O)N |
| Molecular Weight | 147.1 |
| Reaxy-Rn | 4129943 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4129943&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 | Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Quaternary ammonium salts Methyl esters Carboxylic acid salts Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Aspartic acid or derivatives - Alpha-amino acid ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic salt - Organic zwitterion - 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 |
|---|---|---|---|
 I1306072 | Certificate of Analysis | Apr 09, 2025 | A116967 |
| C1724001 | Certificate of Analysis | Nov 07, 2024 | A116967 |
| C1617032 | Certificate of Analysis | Oct 09, 2023 | A116967 |
| B2322343 | Certificate of Analysis | Jan 29, 2023 | A116967 |
| B2322347 | Certificate of Analysis | Jan 29, 2023 | A116967 |
| B2322352 | Certificate of Analysis | Jan 29, 2023 | A116967 |
| B2322465 | Certificate of Analysis | Jan 29, 2023 | A116967 |
| B2322532 | Certificate of Analysis | Jan 29, 2023 | A116967 |
| Solubility | Soluble in water |
|---|---|
| Specific Rotation[α] | 36 ° (C=0.5, H2O) |
| Melt Point(°C) | 186°C |
| Molecular Weight | 147.130 g/mol |
| XLogP3 | -3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 147.053 Da |
| Monoisotopic Mass | 147.053 Da |
| Topological Polar Surface Area | 89.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 145.000 |
| 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 |
