≥96% 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.
| Canonical Smiles | CC(C)C(C(=O)NC1CCCCC1)NC(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | benzyl N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate |
| InChIKey | UQBYHYLSJXPFLH-KRWDZBQOSA-N |
| INCHI | 1S/C19H28N2O3/c1-14(2)17(18(22)20-16-11-7-4-8-12-16)21-19(23)24-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)NC1CCCCC1)NC(=O)OCC2=CC=CC=C2 |
| PubChem CID | 826228 |
| Molecular Weight | 332.4 |
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 | Valine and derivatives |
| Alternative Parents | Alpha amino acid amides Benzyloxycarbonyls N-acyl amines Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Valine or derivatives - Alpha-amino acid amide - Benzyloxycarbonyl - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - N-acyl-amine - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carbonic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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 | 332.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 332.21 Da |
| Monoisotopic Mass | 332.21 Da |
| Topological Polar Surface Area | 67.400 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| 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 |
