≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 488192399 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192399 |
| Canonical Smiles | CC(C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)O |
| IUPAC Name | methyl (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate |
| InChIKey | OPZWAOJFQFYYIX-KOLCDFICSA-N |
| INCHI | 1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11+/m1/s1 |
| Isomeric SMILES | C[C@H]([C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)O |
| WGK Germany | 3 |
| PubChem CID | 2733409 |
| Molecular Weight | 267.28 |
| Beilstein | 2220800 |
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 | Alpha amino acid esters |
| Alternative Parents | Benzyloxycarbonyls Fatty acid esters Beta hydroxy acids and derivatives Methyl esters Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Benzyloxycarbonyl - Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Hydroxy acid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Carbonic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| 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 |
|---|---|---|---|
 E1520079 | Certificate of Analysis | May 21, 2026 | Z134064 |
| G1831083 | Certificate of Analysis | Jan 05, 2026 | Z134064 |
| G1831084 | Certificate of Analysis | Nov 24, 2025 | Z134064 |
| C2223241 | Certificate of Analysis | Oct 11, 2025 | Z134064 |
| C2223287 | Certificate of Analysis | Oct 11, 2025 | Z134064 |
| C2223695 | Certificate of Analysis | Oct 11, 2025 | Z134064 |
| E2309018 | Certificate of Analysis | Feb 11, 2025 | Z134064 |
| Sensitivity | Air sensitive |
|---|---|
| Specific Rotation[α] | [α]25/D −18°, c = 1 in methanol |
| Melt Point(°C) | 92-94 °C (lit.) |
| Molecular Weight | 267.280 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 267.111 Da |
| Monoisotopic Mass | 267.111 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
