methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate

C17H25NO4Si — CID 19797827

IUPACmethyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C17H25NO4Si/c1-5-23(6-2,7-3)22-15-14(13-11-9-8-10-12-13)18(16(15)19)17(20)21-4/h8-12,14-15H,5-7H2,1-4H3
InChIKeyOIOSLNWESYUYHP-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.73
Rot. Bonds6

About methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate

methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate (PubChem CID 19797827) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate
PubChem CID19797827
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Namemethyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C17H25NO4Si/c1-5-23(6-2,7-3)22-15-14(13-11-9-8-10-12-13)18(16(15)19)17(20)21-4/h8-12,14-15H,5-7H2,1-4H3
InChIKeyOIOSLNWESYUYHP-UHFFFAOYSA-N
XLogP3.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate (CID 19797827) is methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate is CC[Si](CC)(CC)OC1C(=O)N(C(=O)OC)C1c1ccccc1.
What is the InChIKey of methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate?
The InChIKey is OIOSLNWESYUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-5-23(6-2,7-3)22-15-14(13-11-9-8-10-12-13)18(16(15)19)17(20)21-4/h8-12,14-15H,5-7H2,1-4H3.
What are the key properties of methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate?
methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate has a molecular weight of 335.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 19797827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).