≥98% 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 | CCCC(C(C(=O)NC1CC1)OC(=O)C)NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | [(3S)-1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl] acetate |
| InChIKey | UMBJIHSHCLDUFA-UEWDXFNNSA-N |
| INCHI | 1S/C16H28N2O5/c1-6-7-12(18-15(21)23-16(3,4)5)13(22-10(2)19)14(20)17-11-8-9-11/h11-13H,6-9H2,1-5H3,(H,17,20)(H,18,21)/t12-,13?/m0/s1 |
| Isómeros SMILES | CCC[C@@H](C(C(=O)NC1CC1)OC(=O)C)NC(=O)OC(C)(C)C |
| CAS alternativo | 856707-38-5 |
| PubChem CID | 56604967 |
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 |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | N-acyl amines Monosaccharides Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Beta amino acid or derivatives - Fatty amide - Fatty acyl - Monosaccharide - N-acyl-amine - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 328.400 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 328.2 Da |
| Monoisotopic Mass | 328.2 Da |
| Topological Polar Surface Area | 93.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 440.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
