Back to Search
Molecule
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-2-Methyl-L-Leucine
CAS: 312624-65-0 · C22H25NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 312624-65-0
- Molecular Formula
- C22H25NO4
- Molecular Mass
- 367.45 g/mol
Identifiers
CAS Registry Number
312624-65-0
SMILES
CC(C)C[C@](C)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
LKQDQIGTIVQHMG-QFIPXVFZSA-N
InChI
InChI=1S/C22H25NO4/c1-14(2)12-22(3,20(24)25)23-21(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t22-/m0/s1
Names and Synonyms
- N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-2-Methyl-L-Leucine Synonym
- L-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl- Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine Synonym
- (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-2,4-dimethylpentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 367.45 g/mol | CAS Common Chemistry |
| 367.4450000000001 g/mol | RDKit | |
| 367.445 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)(C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H25NO4/c1-14(2)12-22(3,20(24)25)23-21(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LKQDQIGTIVQHMG-QFIPXVFZSA-N | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine | CAS Common Chemistry |
| Heavy Atom Count | 27 | 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 | 4.618900000000004 | RDKit |
| 4.6189 | RDKit | |
| Molar Refractivity | 105.23260000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 367.17835828 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.
External Resources
Convert
Quick conversion
MW = 367.45 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H25NO4.
