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N-(9-Fluorenylmethoxycarbonyl)-O-Tert-Butylserine
CAS: 71989-33-8 | C22H25NO5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
71989-33-8
Molecular Formula:
C22H25NO5
Molecular Mass:
383.44 g/mol
Names and Synonyms:
N-(9-Fluorenylmethoxycarbonyl)-O-Tert-Butylserine
(2S)-3-tert-Butoxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propanoic acid
Fmoc-Ser(OtBu)-OH
Fmoc-L-Ser(tBu)-OH
(2S)-3-(tert-Butoxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
L-Serine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine
N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine
O-tert-Butyl-N-(9-fluorenylmethoxycarbonyl)serine
Identifiers:
SMILES:
CC(C)(C)OC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
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
Key Properties
Melting Point
128-131 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 | 383.44 g/mol | CAS Common Chemistry |
| 383.44400000000013 g/mol | RDKit | |
| 383.1732729 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 |
| LogP | 3.9978000000000025 | RDKit |
| Molar Refractivity | 106.86560000000007 | RDKit |
