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

C18H26ClNO4Si — CID 14658837

IUPAC[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H26ClNO4Si/c1-11(24-25(5,6)18(2,3)4)14-15(21)20-16(14)23-17(22)12-8-7-9-13(19)10-12/h7-11,14,16H,1-6H3,(H,20,21)/t11-,14+,16-/m1/s1
InChIKeyCQHGULORRUIJBP-DIOULYMOSA-N
MW383.95 g/mol
LogP3.98
Rot. Bonds5

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

[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate (PubChem CID 14658837) has the molecular formula C18H26ClNO4Si and a molecular weight of 383.95 g/mol. Its IUPAC name is [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate.

Molecular Properties

Compound Name[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate
PubChem CID14658837
Molecular FormulaC18H26ClNO4Si
Molecular Weight383.95 g/mol
Exact Mass383.13
IUPAC Name[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H26ClNO4Si/c1-11(24-25(5,6)18(2,3)4)14-15(21)20-16(14)23-17(22)12-8-7-9-13(19)10-12/h7-11,14,16H,1-6H3,(H,20,21)/t11-,14+,16-/m1/s1
InChIKeyCQHGULORRUIJBP-DIOULYMOSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.98
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] 3-chlorobenzoate?
The IUPAC name of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate (CID 14658837) is [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate.
What is the SMILES notation for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate?
The canonical SMILES for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OC(=O)c1cccc(Cl)c1.
What is the InChIKey of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate?
The InChIKey is CQHGULORRUIJBP-DIOULYMOSA-N. The full InChI is InChI=1S/C18H26ClNO4Si/c1-11(24-25(5,6)18(2,3)4)14-15(21)20-16(14)23-17(22)12-8-7-9-13(19)10-12/h7-11,14,16H,1-6H3,(H,20,21)/t11-,14+,16-/m1/s1.
What are the key properties of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate?
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 3-chlorobenzoate has a molecular weight of 383.95 g/mol, XLogP of 3.98, 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] 3-chlorobenzoate is sourced from PubChem (CID 14658837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).