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Molecule
Fmoc-L-Asparagine
CAS: 71989-16-7 · C19H18N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71989-16-7
- Molecular Formula
- C19H18N2O5
- Molecular Mass
- 354.36 g/mol
Identifiers
CAS Registry Number
71989-16-7
SMILES
N=C(O)C[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
YUGBZNJSGOBFOV-INIZCTEOSA-N
InChI
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1
Names and Synonyms
- Fmoc-L-Asparagine Synonym
- L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-asparagine Synonym
- N2-(9-Fluorenylmethoxycarbonyl)asparagine Synonym
- N-(9-Fluorenylmethoxycarbonyl)asparagine Synonym
- FMOC-L-asparagine Synonym
- N-FMOC-L-asparagine Synonym
- NSC 334297 Synonym
- (2S)-3-Carbamoyl-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid Synonym
- (2S)-4-Amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.36 g/mol | CAS Common Chemistry |
| 354.3620000000001 g/mol | RDKit | |
| 354.362 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YUGBZNJSGOBFOV-INIZCTEOSA-N | CAS Common Chemistry |
| Melting Point | 187-188 °C | CAS Common Chemistry |
| Name | FMOC-L-asparagine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 123.2 Ų | RDKit |
| 111.35 Ų | chempirical lib | |
| LogP | 3.1080700000000014 | RDKit |
| 3.1081 | RDKit | |
| Molar Refractivity | 96.13310000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2105 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 354.121571676 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 354.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H18N2O5.
