| Canonical Smiles | C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-] |
|---|---|
| IUPAC Name | (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate |
| InChIKey | AOHCBEAZXHZMOR-ZDUSSCGKSA-N |
| INCHI | 1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1 |
| Isomeric SMILES | C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-] |
| Molecular Weight | 246.31 |
| Reaxy-Rn | 4147790 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4147790&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 - Alpha amino acids |
| Direct Parent | L-alpha-amino acids |
| Alternative Parents | 3-alkylindoles Aralkylamines Substituted pyrroles Benzenoids Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - L-alpha-amino acid - Indole - Indole or derivatives - Aralkylamine - Substituted pyrrole - Benzenoid - Tetraalkylammonium salt - Pyrrole - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
| External Descriptors | tryptamines |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2426390 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426396 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426397 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426400 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426401 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426402 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426403 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426404 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426405 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| B2426406 | Certificate of Analysis | Jan 16, 2024 | H412621 |
| Solubility | Solubility (25°C) In vitro Water: 16 mg/mL (64.96 mM); DMSO: Insoluble; Ethanol: Insoluble; |
|---|---|
| Sensitivity | Moisture sensitive；Light sensitive |
| Molecular Weight | 246.300 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 246.137 Da |
| Monoisotopic Mass | 246.137 Da |
| Topological Polar Surface Area | 55.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 306.000 |
| 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 |
