Back to Search
Molecule
5-Methyl Hydrogen N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-L-Glutamate
CAS: 145038-50-2 · C21H21NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 145038-50-2
- Molecular Formula
- C21H21NO6
- Molecular Mass
- 383.40 g/mol
Identifiers
CAS Registry Number
145038-50-2
SMILES
COC(=O)CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
RULINAWEYRMHHQ-SFHVURJKSA-N
InChI
InChI=1S/C21H21NO6/c1-27-19(23)11-10-18(20(24)25)22-21(26)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,22,26)(H,24,25)/t18-/m0/s1
Names and Synonyms
- 5-Methyl Hydrogen N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-L-Glutamate Systematic Name
- L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-methyl ester Synonym
- 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate Synonym
- N-(9-Fluorenylmethoxycarbonyl)glutamic acid γ-methyl ester Synonym
- (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-5-methoxy-5-oxopentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.40 g/mol | CAS Common Chemistry |
| 383.40000000000015 g/mol | RDKit | |
| 383.4 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCC(=O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C21H21NO6/c1-27-19(23)11-10-18(20(24)25)22-21(26)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,22,26)(H,24,25)/t18-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RULINAWEYRMHHQ-SFHVURJKSA-N | CAS Common Chemistry |
| Name | 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 105.42 Ų | RDKit |
| LogP | 3.1359000000000012 | RDKit |
| 3.1359 | RDKit | |
| Molar Refractivity | 102.41060000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 383.13688739199995 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 = 383.40 g/mol. Edit any field — others recompute live.
