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Molecule
Fmoc-Gly-Oh
CAS: 29022-11-5 · C17H15NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 29022-11-5
- Molecular Formula
- C17H15NO4
- Molecular Mass
- 297.31 g/mol
Identifiers
CAS Registry Number
29022-11-5
SMILES
O=C(O)CN=C(O)OCC1c2ccccc2-c2ccccc21
InChI Key
NDKDFTQNXLHCGO-UHFFFAOYSA-N
InChI
InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)
Names and Synonyms
- Fmoc-Gly-Oh Common Name
- Glycine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- Glycine, N-carboxy-, N-(fluoren-9-ylmethyl) ester Synonym
- Fluorene-9-methanol, N-ester with N-carboxyglycine Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine Synonym
- N-(9-Fluorenylmethoxycarbonyl)glycine Synonym
- Fmoc-Gly-OH Synonym
- N-Fluorenylmethoxycarbonylglycine Synonym
- NPC 14692 Synonym
- Fmoc glycine Synonym
- NSC 334288 Synonym
- [[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]acetic acid Synonym
- 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]ethanoic acid Synonym
- 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.31 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=NDKDFTQNXLHCGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-176 °C | CAS Common Chemistry |
| Name | Fmoc-Gly-OH | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 2.8141000000000007 | RDKit |
| 2.8141 | RDKit | |
| Molar Refractivity | 82.23960000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 297.10010796 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 297.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H15NO4.
