≥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.
| Canonical Smiles | CC(C)(C)OC(=O)C(CC(=O)O)N |
|---|---|
| IUPAC Name | (3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid |
| InChIKey | PUWCNJZIFKBDJQ-YFKPBYRVSA-N |
| INCHI | 1S/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)[C@H](CC(=O)O)N |
| Alternate CAS | 176164-02-6 |
| Molecular Weight | 189.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Branched fatty acids Dicarboxylic acids and derivatives Quaternary ammonium salts Carboxylic acid salts Carboxylic acid esters 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 - Branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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 |
|---|---|---|---|
 H2526531 | Certificate of Analysis | May 20, 2025 | H768846 |
| H2526532 | Certificate of Analysis | May 20, 2025 | H768846 |
| H2526533 | Certificate of Analysis | May 20, 2025 | H768846 |
| H2526534 | Certificate of Analysis | May 20, 2025 | H768846 |
| Molecular Weight | 189.210 g/mol |
|---|---|
| XLogP3 | -2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 189.1 Da |
| Monoisotopic Mass | 189.1 Da |
| Topological Polar Surface Area | 89.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
