≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCC(=O)O)C#N.Cl |
|---|---|
| IUPAC Name | 3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid;hydrochloride |
| InChIKey | ZHPGSGYEFGEZAL-UHFFFAOYSA-N |
| INCHI | 1S/C24H24N4O4.ClH/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30;/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30);1H |
| Isomeric SMILES | CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCC(=O)O)C#N.Cl |
| PubChem CID | 90488927 |
| Molecular Weight | 468.93 |
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 |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Phenyloxadiazoles Indanes Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Amino acids Oxacyclic compounds Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Carbonyl compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Beta amino acid or derivatives - Indane - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,2,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Amino acid - Azacycle - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Hydrochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 43.25, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 468.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 468.156 Da |
| Monoisotopic Mass | 468.156 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 695.000 |
| 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 |
