[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate

C18H26FNO4Si — CID 139669335

IUPAC[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@@H]1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO4Si/c1-11(24-25(5,6)18(2,3)4)14-15(21)20-16(14)23-17(22)12-7-9-13(19)10-8-12/h7-11,14,16H,1-6H3,(H,20,21)/t11-,14-,16-/m1/s1
InChIKeyBMZWAKNWXHGCNU-DJSGYFEHSA-N
MW367.49 g/mol
LogP3.46
Rot. Bonds5

About [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate

[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate (PubChem CID 139669335) has the molecular formula C18H26FNO4Si and a molecular weight of 367.49 g/mol. Its IUPAC name is [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate
PubChem CID139669335
Molecular FormulaC18H26FNO4Si
Molecular Weight367.49 g/mol
Exact Mass367.16
IUPAC Name[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@@H]1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO4Si/c1-11(24-25(5,6)18(2,3)4)14-15(21)20-16(14)23-17(22)12-7-9-13(19)10-8-12/h7-11,14,16H,1-6H3,(H,20,21)/t11-,14-,16-/m1/s1
InChIKeyBMZWAKNWXHGCNU-DJSGYFEHSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-Benzoyloxy-2-azetidinone
CID 2724624
benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 134884035
5-[(2R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]pent-2-ynyl benzoate
CID 134972779
(2R,3R)-3-[(1R)-1-Hydroxyethyl]-4-oxoazetidin-2-YL benzoate
CID 2751585
[3-(1-Hydroxyethyl)-4-oxoazetidin-2-yl] benzoate
CID 3970164
[(2S)-4-oxoazetidin-2-yl] benzoate
CID 6931357
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(hydroxymethyl)-4-oxoazetidin-2-yl] benzoate
CID 10948891
[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
CID 11145327
tert-Butyl 3-{[(2R,3S)-3-((1R)-1-{[tert-butyl(dimethyl) silyl]oxy}-ethyl)-4-oxo-2-azetidinyl]acetyl}benzoate
CID 11640909
(2r,3r)-3-((r)-1-(Tert-butyldimethylsilyloxy)ethyl)-4-oxoazetidin-2-yl benzoate
CID 11783054
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate
CID 14658837
[3-[1-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 14658838

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate?
The IUPAC name of [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate (CID 139669335) is [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate.
What is the SMILES notation for [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate?
The canonical SMILES for [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@@H]1OC(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate?
The InChIKey is BMZWAKNWXHGCNU-DJSGYFEHSA-N. The full InChI is InChI=1S/C18H26FNO4Si/c1-11(24-25(5,6)18(2,3)4)14-15(21)20-16(14)23-17(22)12-7-9-13(19)10-8-12/h7-11,14,16H,1-6H3,(H,20,21)/t11-,14-,16-/m1/s1.
What are the key properties of [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate?
[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate has a molecular weight of 367.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate is sourced from PubChem (CID 139669335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).