≥97% 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.
| Sonrisas canónicas | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate |
| InChIKey | KVEDDVRFINSSND-ZDUSSCGKSA-N |
| INCHI | 1S/C16H22N2O6/c1-5-23-14(19)13(17-15(20)24-16(2,3)4)10-11-6-8-12(9-7-11)18(21)22/h6-9,13H,5,10H2,1-4H3,(H,17,20)/t13-/m0/s1 |
| Isómeros SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| PubChem CID | 10593086 |
| Peso molecular | 338.36 |
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 | Alpha amino acid esters Amphetamines and derivatives Nitrobenzenes Nitroaromatic compounds Fatty acid esters Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic cation - 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 |
| Peso molecular | 338.360 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 338.148 Da |
| Monoisotopic Mass | 338.148 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
