≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 504764642 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764642 |
| Canonical Smiles | CC(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| IUPAC Name | (2R)-2-acetamido-3-(4-benzoylphenyl)propanoic acid |
| InChIKey | WLYJTWQCNXWBRA-MRXNPFEDSA-N |
| INCHI | 1S/C18H17NO4/c1-12(20)19-16(18(22)23)11-13-7-9-15(10-8-13)17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)(H,22,23)/t16-/m1/s1 |
| Isomeric SMILES | CC(=O)N[C@H](CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| Molecular Weight | 311.33 |
| Reaxy-Rn | 44653266 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44653266&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 |
| Direct Parent | Phenylalanine and derivatives |
| Alternative Parents | Benzophenones N-acyl-alpha amino acids Diphenylmethanes Aryl-phenylketones Phenylpropanoic acids Amphetamines and derivatives Benzoyl derivatives Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Benzophenone - Aryl-phenylketone - Diphenylmethane - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 311.300 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 311.116 Da |
| Monoisotopic Mass | 311.116 Da |
| Topological Polar Surface Area | 83.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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 |
H2231082