Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid is used as a reagent in the synthesis of metabolites of PPI-2458, which is a selective, irreversible inhibitor of methionine aminopeptidase-2 (MetAP2). N-Boc-3-hydroxy-L-valine is also used in the preparation of Boceprevir, an NS3 serine protease inhibitor of hepatitis C virus for the treatment of HCV infection.
| Pubchem Sid | 504765968 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765968 |
| Sonrisas canónicas | CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O |
| IUPAC Name | (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChIKey | SZVRVSZFEDIMFM-ZCFIWIBFSA-N |
| INCHI | 1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O |
| Peso molecular | 233.26 |
| Reaxy-Rn | 4426526 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4426526&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 |
| 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 | Valine and derivatives |
| Alternative Parents | Short-chain hydroxy acids and derivatives Methyl-branched fatty acids Hydroxy fatty acids Tertiary alcohols Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Valine or derivatives - Branched fatty acid - Hydroxy fatty acid - Short-chain hydroxy acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Tertiary alcohol - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 L2416851 | Certificate of Analysis | Apr 12, 2024 | N137943 |
| L2416872 | Certificate of Analysis | Apr 12, 2024 | N137943 |
| L2416873 | Certificate of Analysis | Apr 12, 2024 | N137943 |
| J1916109 | Certificate of Analysis | May 11, 2023 | N137943 |
| Punto de fusión (°C) | 116-118℃ |
|---|---|
| Peso molecular | 233.260 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 233.126 Da |
| Monoisotopic Mass | 233.126 Da |
| Topological Polar Surface Area | 95.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
