methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate

C32H37NO7Si — CID 19090357

IUPACmethyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
SMILESCOC(=O)C(C(C)O[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1)N1C(=O)C(OC(C)=O)C1c1ccccc1
InChIInChI=1S/C32H37NO7Si/c1-22(39-41(40-32(3,4)5,25-18-12-8-13-19-25)26-20-14-9-15-21-26)27(31(36)37-6)33-28(24-16-10-7-11-17-24)29(30(33)35)38-23(2)34/h7-22,27-29H,1-6H3
InChIKeyJIPZTNGDNLLBGR-UHFFFAOYSA-N
MW575.73 g/mol
LogP3.52
Rot. Bonds10

About methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate

methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate (PubChem CID 19090357) has the molecular formula C32H37NO7Si and a molecular weight of 575.73 g/mol. Its IUPAC name is methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate.

Molecular Properties

Compound Namemethyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
PubChem CID19090357
Molecular FormulaC32H37NO7Si
Molecular Weight575.73 g/mol
Exact Mass575.23
IUPAC Namemethyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
SMILESCOC(=O)C(C(C)O[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1)N1C(=O)C(OC(C)=O)C1c1ccccc1
InChIInChI=1S/C32H37NO7Si/c1-22(39-41(40-32(3,4)5,25-18-12-8-13-19-25)26-20-14-9-15-21-26)27(31(36)37-6)33-28(24-16-10-7-11-17-24)29(30(33)35)38-23(2)34/h7-22,27-29H,1-6H3
InChIKeyJIPZTNGDNLLBGR-UHFFFAOYSA-N
XLogP3.52
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
CID 20652028
CID 20652028
[(3S)-2-(4-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 54404582
(4-nitrophenyl)methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-4-[tert-butyl(diphenyl)silyl]oxybutanoate
CID 54222194
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
CID 67705047
(2-oxo-4-phenyl-1-phenylsulfanylazetidin-3-yl) acetate
CID 102273828
[(3S,4S)-2-oxo-4-phenyl-1-phenylsulfanylazetidin-3-yl] acetate
CID 102078289
(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate
CID 102316172
tert-butyl (3S,4S)-3-benzoyloxy-2-oxo-4-phenylazetidine-1-carboxylate
CID 146032902
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
methyl 4-[(2S,3S)-3-acetyloxy-4-oxo-1-phenylsulfanylazetidin-2-yl]benzoate
CID 102078294
methyl (2R,3S)-2-[acetyloxy(diphenyl)methyl]-1-(1-methoxy-1-oxopropan-2-yl)-4-oxoazetidine-3-carboxylate
CID 135068303

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
The IUPAC name of methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate (CID 19090357) is methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate.
What is the SMILES notation for methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
The canonical SMILES for methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate is COC(=O)C(C(C)O[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1)N1C(=O)C(OC(C)=O)C1c1ccccc1.
What is the InChIKey of methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
The InChIKey is JIPZTNGDNLLBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO7Si/c1-22(39-41(40-32(3,4)5,25-18-12-8-13-19-25)26-20-14-9-15-21-26)27(31(36)37-6)33-28(24-16-10-7-11-17-24)29(30(33)35)38-23(2)34/h7-22,27-29H,1-6H3.
What are the key properties of methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate has a molecular weight of 575.73 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyloxy-2-oxo-4-phenylazetidin-1-yl)-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate is sourced from PubChem (CID 19090357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).