≥99% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C |
|---|---|
| IUPAC Name | ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate |
| InChIKey | SKAWDTAMLOJQNK-LBPRGKRZSA-N |
| INCHI | 1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1 |
| Isómeros SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C |
| Peso molecular | 251.28 |
| Reaxy-Rn | 2217899 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217899&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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Tyrosine and derivatives |
| Alternative Parents | Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Amphetamines and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | ethyl ester - phenols - acetamides - L-tyrosine derivative |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 I2414301 | Certificate of Analysis | Sep 05, 2024 | N195244 |
| I2414330 | Certificate of Analysis | Sep 05, 2024 | N195244 |
| I2414345 | Certificate of Analysis | Sep 05, 2024 | N195244 |
| I2414346 | Certificate of Analysis | Sep 05, 2024 | N195244 |
| I2414347 | Certificate of Analysis | Sep 05, 2024 | N195244 |
| I2414348 | Certificate of Analysis | Sep 05, 2024 | N195244 |
| Solubilidad | Soluble in Methanol |
|---|---|
| Peso molecular | 251.280 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 251.116 Da |
| Monoisotopic Mass | 251.116 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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 |
| 1. Jun Zhao, Ji-Duan Lin, Jia-Chen Chen, Guo Chen, Xia-Lan Li, Xiao-Qin Wang, Ming-Xia Chen. (2017) α-chymotrypsin activated and stabilized by self-assembled polypseudorotaxane fabricated with bis-thiolated poly(ethylene glycol) and α-cyclodextrin: Spectroscopic and mechanistic analysis. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:28495630] [10.1016/j.ijbiomac.2017.05.024] |
| 2. Ying Liu, Rutao Liu. (2012) The interaction of α-chymotrypsin with one persistent organic pollutant (dicofol): Spectroscope and molecular modeling identification. FOOD AND CHEMICAL TOXICOLOGY, [PMID:22771722] [10.1016/j.fct.2012.06.037] |
