N-Fmoc-L-valinol is an Fmoc protected valine derivative that is potentially useful for proteomics studies and solid phase peptide synthesis techniques. Valine is one of the simplest amino acids - an isopropyl group as the side chain. This smaller side chain confers a fairly high degree of flexibility when incorporated into a polypeptide chain. The Fmoc group is typically removed with a base such as pyridine - an orthogonal de-protection strategy to the acid labilie Boc group.
An Fmoc protected valine derivative
| Canonical Smiles | CC(C)C(CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
|---|---|
| IUPAC Name | 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate |
| InChIKey | MYMGENAMKAPEMT-LJQANCHMSA-N |
| INCHI | 1S/C20H23NO3/c1-13(2)19(11-22)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)/t19-/m1/s1 |
| Isomeric SMILES | CC(C)[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| Molecular Weight | 325.4 |
| Reaxy-Rn | 10182261 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10182261&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Fluorenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorenes |
| Alternative Parents | Carbamate esters Organic carbonic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Fluorene - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
| External Descriptors | Not available |
| Melt Point(°C) | 129-133°C |
|---|---|
| Molecular Weight | 325.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 325.168 Da |
| Monoisotopic Mass | 325.168 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 403.000 |
| 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 |
