≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
| カノニカル・スマイル | COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | methyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate |
| InChIKey | DYWXSVJXETXGGQ-SFHVURJKSA-N |
| INCHI | 1S/C20H20N2O4/c1-25-19(23)18(11-15-12-21-17-10-6-5-9-16(15)17)22-20(24)26-13-14-7-3-2-4-8-14/h2-10,12,18,21H,11,13H2,1H3,(H,22,24)/t18-/m0/s1 |
| 異性体SMILES | COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3 |
| PubChem CID | 11256670 |
| 分子量 | 352.39 |
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 |
| 分類 | 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 | Indolyl carboxylic acids and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Substituted pyrroles Methyl esters Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Indolyl carboxylic acid derivative - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| 説明 | 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 |
| 分子量 | 352.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 352.142 Da |
| Monoisotopic Mass | 352.142 Da |
| Topological Polar Surface Area | 80.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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 |
