[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate

C13H25NO4Si — CID 173253870

IUPAC[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)[C@@H]1C(C)O[SiH2]C(C)(C)C(C)C
InChIInChI=1S/C13H25NO4Si/c1-7(2)13(5,6)19-18-8(3)10-11(16)14-12(10)17-9(4)15/h7-8,10,12H,19H2,1-6H3,(H,14,16)/t8?,10-,12+/m0/s1
InChIKeyGHEYSDVJSJOUFN-USQOSVOJSA-N
MW287.43 g/mol
LogP0.96
Rot. Bonds6

About [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate

[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 173253870) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
PubChem CID173253870
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)[C@@H]1C(C)O[SiH2]C(C)(C)C(C)C
InChIInChI=1S/C13H25NO4Si/c1-7(2)13(5,6)19-18-8(3)10-11(16)14-12(10)17-9(4)15/h7-8,10,12H,19H2,1-6H3,(H,14,16)/t8?,10-,12+/m0/s1
InChIKeyGHEYSDVJSJOUFN-USQOSVOJSA-N
XLogP0.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
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,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate (CID 173253870) is [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@H]1NC(=O)[C@@H]1C(C)O[SiH2]C(C)(C)C(C)C.
What is the InChIKey of [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is GHEYSDVJSJOUFN-USQOSVOJSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-7(2)13(5,6)19-18-8(3)10-11(16)14-12(10)17-9(4)15/h7-8,10,12H,19H2,1-6H3,(H,14,16)/t8?,10-,12+/m0/s1.
What are the key properties of [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate?
[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 173253870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).