| Pubchem Sid | 488200891 |
|---|---|
| Sonrisas canónicas | CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OCC=C)C(=O)O |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-prop-2-enoxyphenyl)propanoic acid |
| InChIKey | LLEUDAJPBFQTRL-CQSZACIVSA-N |
| INCHI | 1S/C17H23NO5/c1-5-9-22-13-8-6-7-12(10-13)11-14(15(19)20)18-16(21)23-17(2,3)4/h5-8,10,14H,1,9,11H2,2-4H3,(H,18,21)(H,19,20)/t14-/m1/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)OCC=C)C(=O)O |
| Peso molecular | 321.37 |
| Reaxy-Rn | 9139436 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9139436&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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Phenylalanine and derivatives |
| Alternative Parents | Phenylpropanoic acids Amphetamines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2318900 | Certificate of Analysis | Mar 10, 2026 | B355160 |
| E2318915 | Certificate of Analysis | Mar 10, 2026 | B355160 |
| E2318933 | Certificate of Analysis | Mar 10, 2026 | B355160 |
| E2318936 | Certificate of Analysis | Mar 10, 2026 | B355160 |
| E2318938 | Certificate of Analysis | Mar 10, 2026 | B355160 |
| E2318945 | Certificate of Analysis | Mar 10, 2026 | B355160 |
| I2517023 | Certificate of Analysis | Apr 10, 2023 | B355160 |
| Peso molecular | 321.400 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 321.158 Da |
| Monoisotopic Mass | 321.158 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 416.000 |
| 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 |
