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Molecule
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
Identifiers
CAS Registry Number
101555-62-8
SMILES
O=C(O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChI Key
ZPGDWQNBZYOZTI-GOSISDBHSA-N
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
Names and Synonyms
- N-(9-Fluorenylmethoxycarbonyl)-D-Proline Synonym
- 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (2R)- Synonym
- 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (R)- Synonym
- (R)-N-(9-Fluorenylmethoxycarbonyl)proline Synonym
- (R)-N-FMOC-proline Synonym
- N-(9-Fluorenylmethoxycarbonyl)-D-proline Synonym
- 992: PN: WO2006135786 PAGE: 71 claimed protein Synonym
- 300: PN: US20070042401 PAGE: 38 claimed protein Synonym
- (R)-1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]pyrrolidine-2-carboxylic acid Synonym
- 1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-D-proline Synonym
- (2R)-1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]pyrrolidine-2-carboxylic acid Synonym
- (2R)-1-(9H-Fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid Synonym
- (2R)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.38 g/mol | CAS Common Chemistry |
| 337.3750000000001 g/mol | RDKit | |
| 337.375 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 |
| 66.61 Ų | chempirical lib | |
| LogP | 3.4845000000000024 | RDKit |
| 3.4845 | RDKit | |
| Molar Refractivity | 92.43280000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 337.131408088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
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MW = 337.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H19NO4.
