(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

C18H27NO3Si — CID 11142197

IUPAC(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C18H27NO3Si/c1-12(22-23(5,6)18(2,3)4)14-15(19-17(14)21)16(20)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,19,21)/t12-,14-,15+/m1/s1
InChIKeyYGCPUXQOGDXMES-YUELXQCFSA-N
MW333.50 g/mol
LogP3.39
Rot. Bonds5

About (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (PubChem CID 11142197) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
PubChem CID11142197
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C18H27NO3Si/c1-12(22-23(5,6)18(2,3)4)14-15(19-17(14)21)16(20)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,19,21)/t12-,14-,15+/m1/s1
InChIKeyYGCPUXQOGDXMES-YUELXQCFSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (CID 11142197) is (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The InChIKey is YGCPUXQOGDXMES-YUELXQCFSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-12(22-23(5,6)18(2,3)4)14-15(19-17(14)21)16(20)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,19,21)/t12-,14-,15+/m1/s1.
What are the key properties of (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one has a molecular weight of 333.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is sourced from PubChem (CID 11142197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).