| Canonical Smiles | COC(=O)C(CC1=CNC2=CC=CC=C21)N.Cl |
|---|---|
| IUPAC Name | methyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride |
| InChIKey | XNFNGGQRDXFYMM-UHFFFAOYSA-N |
| INCHI | 1S/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H |
| Isomeric SMILES | COC(=O)C(CC1=CNC2=CC=CC=C21)N.Cl |
| Molecular Weight | 254.71 |
| Reaxy-Rn | 4035732 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4035732&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | 3-alkylindoles Aralkylamines Fatty acid esters Substituted pyrroles Benzenoids Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic chloride salts Organic oxides Organic zwitterions Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Substituted pyrrole - Benzenoid - Fatty acyl - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic chloride salt - 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 |
|---|---|---|---|
 C2612432 | Certificate of Analysis | Dec 20, 2025 | D185228 |
| C2612433 | Certificate of Analysis | Dec 20, 2025 | D185228 |
| C2612434 | Certificate of Analysis | Dec 20, 2025 | D185228 |
| C2612435 | Certificate of Analysis | Dec 20, 2025 | D185228 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 254.710 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 254.082 Da |
| Monoisotopic Mass | 254.082 Da |
| Topological Polar Surface Area | 68.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| 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 | 2 |
