(3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one

C22H27NO3Si — CID 10500068

IUPAC(3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-4-27(5-2,6-3)26-20-19(17-13-9-7-10-14-17)23(22(20)25)21(24)18-15-11-8-12-16-18/h7-16,19-20H,4-6H2,1-3H3/t19-,20+/m0/s1
InChIKeyPMFXBVOLZORTNG-VQTJNVASSA-N
MW381.55 g/mol
LogP4.80
Rot. Bonds7

About (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one

(3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one (PubChem CID 10500068) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
PubChem CID10500068
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name(3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-4-27(5-2,6-3)26-20-19(17-13-9-7-10-14-17)23(22(20)25)21(24)18-15-11-8-12-16-18/h7-16,19-20H,4-6H2,1-3H3/t19-,20+/m0/s1
InChIKeyPMFXBVOLZORTNG-VQTJNVASSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one (CID 10500068) is (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one is CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one?
The InChIKey is PMFXBVOLZORTNG-VQTJNVASSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-4-27(5-2,6-3)26-20-19(17-13-9-7-10-14-17)23(22(20)25)21(24)18-15-11-8-12-16-18/h7-16,19-20H,4-6H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one?
(3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one has a molecular weight of 381.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one is sourced from PubChem (CID 10500068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).