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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylic acid , CAS No.A668332
Synonyms
MLS000043538 | 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylic acid | SMR000020355 | 3-[2-(Acetylamino)ethyl]-5-methoxy-1H-indole-2-carboxylic acid | Melatonin, 2-carboxy- | Melatonine, 2-carboxy- | Oprea1_189093 | Oprea1_767319 | CBDivE_003006 | ci
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
MLS000043538 | 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylic acid | SMR000020355 | 3-[2-(Acetylamino)ethyl]-5-methoxy-1H-indole-2-carboxylic acid | Melatonin, 2-carboxy- | Melatonine, 2-carboxy- | Oprea1_189093 | Oprea1_767319 | CBDivE_003006 | ci
Product Properties Names and Identifiers Canonical Smiles CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)C(=O)O IUPAC Name 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylic acid InChIKey JISUWGUTYVGVCN-UHFFFAOYSA-N INCHI 1S/C14H16N2O4/c1-8(17)15-6-5-10-11-7-9(20-2)3-4-12(11)16-13(10)14(18)19/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)(H,18,19) Isomeric SMILES CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)C(=O)O PubChem CID 608124 Molecular Weight 276.29
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids and derivatives Alternative Parents N-acetyl-2-arylethylamines 3-alkylindoles Pyrrole 2-carboxylic acids Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid derivative - N-acetyl-2-arylethylamine - 3-alkylindole - Indole - Anisole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Acetamide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 276.290 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 276.111 Da Monoisotopic Mass 276.111 Da Topological Polar Surface Area 91.400 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 374.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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
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