≥95% 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 | CC(C1=CC=CC=C1)NC(C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | methyl (2S)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(1S)-1-phenylethyl]amino]butanoate |
| InChIKey | ANRULRPIGXTOCP-DZGCQCFKSA-N |
| INCHI | 1S/C19H30N2O4/c1-13(14-11-9-8-10-12-14)20-15(16(22)24-7)19(5,6)21-17(23)25-18(2,3)4/h8-13,15,20H,1-7H3,(H,21,23)/t13-,15+/m0/s1 |
| Isomeric SMILES | C[C@@H](C1=CC=CC=C1)N[C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C |
| PubChem CID | 68482382 |
| Molecular Weight | 350.45 |
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 | Alpha amino acid esters |
| Alternative Parents | Valine and derivatives Fatty acid esters Benzene and substituted derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Valine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 350.500 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 350.221 Da |
| Monoisotopic Mass | 350.221 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 451.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
