(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one

C17H27NO3Si — CID 134830527

IUPAC(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)22(4,5)21-12-14-15(16(19)18-14)20-11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyUWFDRDZPJQTUCF-LSDHHAIUSA-N
MW321.49 g/mol
LogP3.09
Rot. Bonds6

About (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one

(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one (PubChem CID 134830527) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one
PubChem CID134830527
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)22(4,5)21-12-14-15(16(19)18-14)20-11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyUWFDRDZPJQTUCF-LSDHHAIUSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one (CID 134830527) is (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1NC(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is UWFDRDZPJQTUCF-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-17(2,3)22(4,5)21-12-14-15(16(19)18-14)20-11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 321.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 134830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).