Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(HPLC) 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 | 488195939 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195939 |
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)C(CO)NC(=O)OCC2=CC=CC=C2 |
| IUPAC Name | benzyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate |
| InChIKey | MHHDPGHZHFJLBZ-INIZCTEOSA-N |
| INCHI | 1S/C18H19NO5/c20-11-16(17(21)23-12-14-7-3-1-4-8-14)19-18(22)24-13-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,19,22)/t16-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CO)NC(=O)OCC2=CC=CC=C2 |
| WGK Germany | 3 |
| Molecular Weight | 329.35 |
| Reaxy-Rn | 2064085 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2064085&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 | Alpha amino acid esters |
| Alternative Parents | Serine and derivatives Benzyloxycarbonyls Beta hydroxy acids and derivatives Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Serine or derivatives - Benzyloxycarbonyl - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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 |
|---|---|---|---|
| Certificate of Analysis | May 11, 2026 | N159609 | |
| Certificate of Analysis | May 11, 2026 | N159609 | |
| Certificate of Analysis | Oct 14, 2025 | N159609 | |
| Certificate of Analysis | Oct 14, 2025 | N159609 | |
| Certificate of Analysis | Jun 17, 2022 | N159609 | |
| Certificate of Analysis | Jan 27, 2022 | N159609 |
| Solubility | Slightly soluble in water. |
|---|---|
| Specific Rotation[α] | [α]D 5° (C=1,CHCl3) |
| Melt Point(°C) | 85 ℃ |
| Molecular Weight | 329.300 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 329.126 Da |
| Monoisotopic Mass | 329.126 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 389.000 |
| 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 |