Back to Search
Molecule
N-(9-Fluorenylmethoxycarbonyl)-O-Tert-Butylserine
CAS: 71989-33-8 · C22H25NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71989-33-8
- Molecular Formula
- C22H25NO5
- Molecular Mass
- 383.44 g/mol
Identifiers
CAS Registry Number
71989-33-8
SMILES
CC(C)(C)OC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
REITVGIIZHFVGU-IBGZPJMESA-N
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
Names and Synonyms
- N-(9-Fluorenylmethoxycarbonyl)-O-Tert-Butylserine Synonym
- (2S)-3-tert-Butoxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propanoic acid Synonym
- Fmoc-Ser(OtBu)-OH Synonym
- Fmoc-L-Ser(tBu)-OH Synonym
- (2S)-3-(tert-Butoxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid Synonym
- (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid Synonym
- L-Serine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine Synonym
- N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine Synonym
- O-tert-Butyl-N-(9-fluorenylmethoxycarbonyl)serine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.44 g/mol | CAS Common Chemistry |
| 383.44400000000013 g/mol | RDKit | |
| 383.444 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)COC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=REITVGIIZHFVGU-IBGZPJMESA-N | CAS Common Chemistry |
| Melting Point | 128-131 °C | CAS Common Chemistry |
| Name | N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 88.35000000000001 Ų | RDKit |
| 88.35 Ų | RDKit | |
| LogP | 3.9978000000000025 | RDKit |
| 3.9978 | RDKit | |
| Molar Refractivity | 106.86560000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 383.1732729 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 = 383.44 g/mol. Edit any field — others recompute live.
