Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | 488179651 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179651 |
| Canonical Smiles | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
| IUPAC Name | 2-acetamido-3-(1H-indol-3-yl)propanoic acid |
| InChIKey | DZTHIGRZJZPRDV-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) |
| Isomeric SMILES | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 246.26 |
| Beilstein | 89478 |
| Reaxy-Rn | 487262 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=487262&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 - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Indolyl carboxylic acids and derivatives 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | N-acetyl-amino acid - tryptophan derivative |
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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 | Jun 08, 2026 | A100466 | |
| Certificate of Analysis | Mar 20, 2026 | A100466 | |
| Certificate of Analysis | Feb 05, 2026 | A100466 | |
| Certificate of Analysis | Feb 05, 2026 | A100466 | |
| Certificate of Analysis | Feb 05, 2026 | A100466 | |
| Certificate of Analysis | Oct 11, 2025 | A100466 | |
| Certificate of Analysis | Apr 12, 2023 | A100466 | |
| Certificate of Analysis | Feb 28, 2023 | A100466 | |
| Certificate of Analysis | Feb 27, 2023 | A100466 | |
| Certificate of Analysis | Feb 27, 2023 | A100466 | |
| Certificate of Analysis | Feb 25, 2023 | A100466 | |
| Certificate of Analysis | Sep 17, 2022 | A100466 | |
| Certificate of Analysis | Sep 17, 2022 | A100466 | |
| Certificate of Analysis | Sep 17, 2022 | A100466 |
| Solubility | Soluble in 1N Sodium Hydroxide, water, and methanol. |
|---|---|
| Sensitivity | light sensitive,air sensitive |
| Melt Point(°C) | 204-206°C |
| Molecular Weight | 246.260 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.1 Da |
| Monoisotopic Mass | 246.1 Da |
| Topological Polar Surface Area | 82.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Chencheng Dai, Yiwei Cao, Yiran Xu, Moyuan Li, Guangquan Liu, Sujuan Xu, Nuo Ye, Changxiang Shi, Tiantian Fan, Pengfei Xu, Xuemei Jia. (2026) Serum metabolic fingerprinting for diagnosis and therapeutic applications of ovarian endometriosis. iScience, 29 (3): [PMID:41743236] [10.1016/j.isci.2026.114887] |