[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate

C18H27NO4Si — CID 11783054

IUPAC[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C18H27NO4Si/c1-12(23-24(5,6)18(2,3)4)14-15(20)19-16(14)22-17(21)13-10-8-7-9-11-13/h7-12,14,16H,1-6H3,(H,19,20)/t12-,14+,16-/m1/s1
InChIKeyYNVUWGMRTJMVRR-IVMMDQJWSA-N
MW349.50 g/mol
LogP3.33
Rot. Bonds5

About [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate

[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate (PubChem CID 11783054) has the molecular formula C18H27NO4Si and a molecular weight of 349.50 g/mol. Its IUPAC name is [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
PubChem CID11783054
Molecular FormulaC18H27NO4Si
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C18H27NO4Si/c1-12(23-24(5,6)18(2,3)4)14-15(20)19-16(14)22-17(21)13-10-8-7-9-11-13/h7-12,14,16H,1-6H3,(H,19,20)/t12-,14+,16-/m1/s1
InChIKeyYNVUWGMRTJMVRR-IVMMDQJWSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.33
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-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate?
The IUPAC name of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate (CID 11783054) is [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate.
What is the SMILES notation for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate?
The canonical SMILES for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate?
The InChIKey is YNVUWGMRTJMVRR-IVMMDQJWSA-N. The full InChI is InChI=1S/C18H27NO4Si/c1-12(23-24(5,6)18(2,3)4)14-15(20)19-16(14)22-17(21)13-10-8-7-9-11-13/h7-12,14,16H,1-6H3,(H,19,20)/t12-,14+,16-/m1/s1.
What are the key properties of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate?
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate has a molecular weight of 349.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate is sourced from PubChem (CID 11783054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).