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Molecule
Fmoc-L-Valine
CAS: 68858-20-8 · C20H21NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 68858-20-8
- Molecular Formula
- C20H21NO4
- Molecular Mass
- 339.39 g/mol
Identifiers
CAS Registry Number
68858-20-8
SMILES
CC(C)[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
UGNIYGNGCNXHTR-SFHVURJKSA-N
InChI
InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
Names and Synonyms
- Fmoc-L-Valine Common Name
- L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valine Synonym
- N-(9-Fluorenylmethoxycarbonyl)-L-valine Synonym
- N-(9-Fluorenylmethoxycarbonyl)valine Synonym
- (9-Fluorenylmethoxycarbonyl)valine Synonym
- FMOC-L-valine Synonym
- (S)-N-Fmoc-valine Synonym
- Fmoc-valine Synonym
- NSC 334304 Synonym
- 125: PN: WO2004099237 PAGE: 36 claimed protein Synonym
- 912: PN: WO2006135786 PAGE: 59 claimed protein Synonym
- 221: PN: US20070042401 PAGE: 29 claimed protein Synonym
- (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid Synonym
- (2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-methylbutanoic acid Synonym
- Fmoc-L-Val-OH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 339.39 g/mol | CAS Common Chemistry |
| 339.3910000000001 g/mol | RDKit | |
| 339.391 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UGNIYGNGCNXHTR-SFHVURJKSA-N | CAS Common Chemistry |
| Melting Point | 144-145 °C (decomp) | CAS Common Chemistry |
| Name | FMOC-L-valine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 3.838700000000002 | RDKit |
| 3.8387 | RDKit | |
| Molar Refractivity | 95.99860000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 339.147058152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 339.39 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H21NO4.
