≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504764462 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764462 |
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N |
| IUPAC Name | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate |
| InChIKey | TYQYRKDGHAPZRF-MRXNPFEDSA-N |
| INCHI | 1S/C18H18N2O2/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17/h1-9,11,16,20H,10,12,19H2/t16-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N |
| WGK Germany | 3 |
| Molecular Weight | 294.35 |
| Reaxy-Rn | 491472 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=491472&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 | Indolyl carboxylic acids and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Aralkylamines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines 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 - Aralkylamine - Benzenoid - Substituted pyrrole - Fatty acyl - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic 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 |
|---|---|---|---|
 G2305360 | Certificate of Analysis | Apr 03, 2026 | D472869 |
| G2305592 | Certificate of Analysis | Apr 03, 2026 | D472869 |
| G2305598 | Certificate of Analysis | Apr 03, 2026 | D472869 |
| G2305654 | Certificate of Analysis | Apr 03, 2026 | D472869 |
| Specific Rotation[α] | [α]20/D −9.9°, c = 1 in ethanol |
|---|---|
| Melt Point(°C) | 77-80 °C |
| Molecular Weight | 294.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 294.137 Da |
| Monoisotopic Mass | 294.137 Da |
| Topological Polar Surface Area | 68.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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. Li Xiangfei, Qiao Juan, Sun Yongjun, Li Zhiwei, Qi Li. (2021) Ligand-modulated synthesis of gold nanoclusters for sensitive and selective detection of folic acid. Journal of Analytical Science and Technology, 12 (1): (1-8). [PMID:] [10.1186/s40543-021-00266-6] |
