(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one

C11H23NOSi — CID 91225029

IUPAC(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one
SMILES[2H]C([2H])([2H])[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C11H23NOSi/c1-8-9(2)12(10(8)13)14(6,7)11(3,4)5/h8-9H,1-7H3/t8-,9-/m1/s1/i1D3
InChIKeyFEOKIAMKAFKYGK-BZWXJOEASA-N
MW216.42 g/mol
LogP2.86
Rot. Bonds2

About (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one

(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one (PubChem CID 91225029) has the molecular formula C11H23NOSi and a molecular weight of 216.42 g/mol. Its IUPAC name is (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one
PubChem CID91225029
Molecular FormulaC11H23NOSi
Molecular Weight216.42 g/mol
Exact Mass216.17
IUPAC Name(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one
SMILES[2H]C([2H])([2H])[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C11H23NOSi/c1-8-9(2)12(10(8)13)14(6,7)11(3,4)5/h8-9H,1-7H3/t8-,9-/m1/s1/i1D3
InChIKeyFEOKIAMKAFKYGK-BZWXJOEASA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one (CID 91225029) is (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one is [2H]C([2H])([2H])[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one?
The InChIKey is FEOKIAMKAFKYGK-BZWXJOEASA-N. The full InChI is InChI=1S/C11H23NOSi/c1-8-9(2)12(10(8)13)14(6,7)11(3,4)5/h8-9H,1-7H3/t8-,9-/m1/s1/i1D3.
What are the key properties of (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one?
(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one has a molecular weight of 216.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-methyl-3-(trideuteriomethyl)azetidin-2-one is sourced from PubChem (CID 91225029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).