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Molecule
Fmoc-Leucine
CAS: 35661-60-0 · C21H23NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 35661-60-0
- Molecular Formula
- C21H23NO4
- Molecular Mass
- 353.42 g/mol
Identifiers
CAS Registry Number
35661-60-0
SMILES
CC(C)C[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
CBPJQFCAFFNICX-IBGZPJMESA-N
InChI
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
Names and Synonyms
- Fmoc-Leucine Common Name
- N-(9-Fluorenylmethoxycarbonyl)leucine Synonym
- NPC 15199 Synonym
- N-(Fluorenylmethoxycarbonyl)leucine Synonym
- N-FMOC-leucine Synonym
- Fmoc-leucine Synonym
- NSC 334290 Synonym
- 908: PN: WO2006135786 PAGE: 58 claimed protein Synonym
- 217: PN: US20070042401 PAGE: 29 claimed protein Synonym
- L-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-leucine Synonym
- N-(9-Fluorenylmethoxycarbonyl)-L-leucine Synonym
- (2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-methylpentanoic acid Synonym
- Fmoc-L-Leucine Synonym
- (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylpentanoic acid Synonym
- (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-methylpentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.42 g/mol | CAS Common Chemistry |
| 353.41800000000006 g/mol | RDKit | |
| 353.418 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CBPJQFCAFFNICX-IBGZPJMESA-N | CAS Common Chemistry |
| Melting Point | 144-146 °C (decomp) | CAS Common Chemistry |
| Name | Fmoc-leucine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 4.228800000000002 | RDKit |
| 4.2288 | RDKit | |
| Molar Refractivity | 100.61560000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 353.162708216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 353.42 g/mol. Edit any field — others recompute live.
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