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Molecule
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Alanine
CAS: 84000-07-7 · C19H19NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 84000-07-7
- Molecular Formula
- C19H19NO4
- Molecular Mass
- 325.36 g/mol
Identifiers
CAS Registry Number
84000-07-7
SMILES
C[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChI Key
JOFHWKQIQLPZTC-LBPRGKRZSA-N
InChI
InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m0/s1
Names and Synonyms
- N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Alanine Common Name
- L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl- Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine Synonym
- N-Fmoc-N-methyl-L-alanine Synonym
- (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino)propanoic acid Synonym
- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.36 g/mol | CAS Common Chemistry |
| 325.36400000000003 g/mol | RDKit | |
| 325.364 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N(C(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JOFHWKQIQLPZTC-LBPRGKRZSA-N | CAS Common Chemistry |
| Melting Point | 140-142 °C | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| 66.61 Ų | chempirical lib | |
| LogP | 3.3404000000000025 | RDKit |
| 3.3404 | RDKit | |
| Molar Refractivity | 89.92980000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2632 | RDKit |
| 0.26 | chempirical lib | |
| Exact Mass | 325.131408088 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 = 325.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H19NO4.
