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N-(9-Fluorenylmethoxycarbonyl)-D-Proline
CAS: 101555-62-8 | C20H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101555-62-8
Molecular Formula:
C20H19NO4
Molecular Mass:
337.38 g/mol
Names and Synonyms:
N-(9-Fluorenylmethoxycarbonyl)-D-Proline
1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (R)-
(R)-N-(9-Fluorenylmethoxycarbonyl)proline
(R)-N-FMOC-proline
N-(9-Fluorenylmethoxycarbonyl)-D-proline
992: PN: WO2006135786 PAGE: 71 claimed protein
300: PN: US20070042401 PAGE: 38 claimed protein
(R)-1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]pyrrolidine-2-carboxylic acid
1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-D-proline
(2R)-1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]pyrrolidine-2-carboxylic acid
(2R)-1-(9H-Fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
(2R)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid
Identifiers:
SMILES:
O=C(O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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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 | 337.38 g/mol | CAS Common Chemistry |
| 337.3750000000001 g/mol | RDKit | |
| 337.131408088 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1N(C(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZPGDWQNBZYOZTI-GOSISDBHSA-N | CAS Common Chemistry |
| Name | N-(9-Fluorenylmethoxycarbonyl)-D-proline | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 3.4845000000000024 | RDKit |
| Molar Refractivity | 92.43280000000003 | RDKit |
