≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1=CC(=CC(=C1CC(C(=O)OC)NC(=O)OC(C)(C)C)C)C(=O)N |
|---|---|
| IUPAC Name | methyl (2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChIKey | AKXSOBOVDSGMSO-AWEZNQCLSA-N |
| INCHI | 1S/C18H26N2O5/c1-10-7-12(15(19)21)8-11(2)13(10)9-14(16(22)24-6)20-17(23)25-18(3,4)5/h7-8,14H,9H2,1-6H3,(H2,19,21)(H,20,23)/t14-/m0/s1 |
| Isomeric SMILES | CC1=CC(=CC(=C1C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C)C(=O)N |
| PubChem CID | 58631271 |
| Molecular Weight | 350.41 |
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 | Alpha amino acid esters Amphetamines and derivatives Benzamides m-Xylenes Benzoyl derivatives Fatty acid esters Methyl esters Carbamate esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - M-xylene - Xylene - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Methyl ester - Carbamic acid ester - Primary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 | 350.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 350.184 Da |
| Monoisotopic Mass | 350.184 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 |
