(3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one

C17H27NO2Si — CID 10828432

IUPAC(3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)21(5,6)18-14(15(20-4)16(18)19)12-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-/m0/s1
InChIKeyQASSRRGVTFTMTF-GJZGRUSLSA-N
MW305.49 g/mol
LogP3.46
Rot. Bonds4

About (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one

(3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one (PubChem CID 10828432) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one
PubChem CID10828432
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name(3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)21(5,6)18-14(15(20-4)16(18)19)12-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-/m0/s1
InChIKeyQASSRRGVTFTMTF-GJZGRUSLSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one?
The IUPAC name of (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one (CID 10828432) is (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one?
The canonical SMILES for (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one is CO[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one?
The InChIKey is QASSRRGVTFTMTF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-17(2,3)21(5,6)18-14(15(20-4)16(18)19)12-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one?
(3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one has a molecular weight of 305.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-benzyl-1-[tert-butyl(dimethyl)silyl]-3-methoxyazetidin-2-one is sourced from PubChem (CID 10828432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).