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N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-D-Leucine
CAS: 103478-63-3 | C22H25NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103478-63-3
Molecular Formula:
C22H25NO4
Molecular Mass:
367.45 g/mol
Names and Synonyms:
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-D-Leucine
D-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine
N-(9-Fluorenylmethoxycarbonyl)-N-methyl-D-leucine
(R)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino]-4-methylpentanoic acid
(2R)-2-[9H-Fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylpentanoic acid
Identifiers:
SMILES:
CC(C)C[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C22H25NO4/c1-14(2)12-20(21(24)25)23(3)22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)/t20-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 367.45 g/mol | CAS Common Chemistry |
| 367.44500000000005 g/mol | RDKit | |
| 367.17835828 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N(C(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31)C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H25NO4/c1-14(2)12-20(21(24)25)23(3)22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)/t20-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BUJQSIPFDWLNDC-HXUWFJFHSA-N | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 4.366600000000004 | RDKit |
| Molar Refractivity | 103.71080000000005 | RDKit |
