[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate

C13H25NO4Si — CID 70435747

IUPAC[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-10(15)18-12-9-11(16)14(12)7-8-17-19(5,6)13(2,3)4/h12H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyFCWAUGRAFJQYDU-GFCCVEGCSA-N
MW287.43 g/mol
LogP2.13
Rot. Bonds5

About [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate

[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 70435747) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
PubChem CID70435747
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-10(15)18-12-9-11(16)14(12)7-8-17-19(5,6)13(2,3)4/h12H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyFCWAUGRAFJQYDU-GFCCVEGCSA-N
XLogP2.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.13
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 [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate (CID 70435747) is [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1CC(=O)N1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is FCWAUGRAFJQYDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-10(15)18-12-9-11(16)14(12)7-8-17-19(5,6)13(2,3)4/h12H,7-9H2,1-6H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 70435747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).