≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
application：
Reactant for:Peptide-based preparation of potential antitumor agents.Preparation of cyclopropyl peptidomimetics.Peptide synthesis
It is employed as a reactant for peptide-based preparation of potential antitumor agents, preparation of cyclopropyl peptidomimetics and peptide synthesis.
| Canonical Smiles | CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid |
| InChIKey | USPFMEKVPDBMCG-LBPRGKRZSA-N |
| INCHI | 1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| WGK Germany | 3 |
| RTECS | OH2921000 |
| UN Number | 1993 |
| Packing Group | III |
| Molecular Weight | 265.3 |
| Beilstein | 1253861 |
| Reaxy-Rn | 1386266 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1386266&ln= |
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 | Leucine and derivatives |
| Alternative Parents | Benzene and substituted derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Leucine or derivatives - Monocyclic benzene moiety - Benzenoid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboximidic acid derivative - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | carbamate ester - L-leucine derivative |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2413180 | Certificate of Analysis | May 27, 2024 | C108997 |
| F2413217 | Certificate of Analysis | May 27, 2024 | C108997 |
| F2413223 | Certificate of Analysis | May 27, 2024 | C108997 |
| F2413237 | Certificate of Analysis | May 27, 2024 | C108997 |
| Solubility | Not miscible or difficult to mix in water. Soluble in chloroform, DMSO and methanol |
|---|---|
| Refractive Index | 1.512 |
| Specific Rotation[α] | -17 ° (C=5, EtOH) |
| Flash Point(°F) | 230°F |
| Flash Point(°C) | ＞110℃ |
| Molecular Weight | 265.300 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 265.131 Da |
| Monoisotopic Mass | 265.131 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 298.000 |
| 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 |
