methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate

C19H19NO3 — CID 122231365

IUPACmethyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2C(C)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-13-17(15-8-10-16(11-9-15)19(22)23-2)20(18(13)21)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyMOHVHTUOFZNJJQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds4

About methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate

methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate (PubChem CID 122231365) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
PubChem CID122231365
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2C(C)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-13-17(15-8-10-16(11-9-15)19(22)23-2)20(18(13)21)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyMOHVHTUOFZNJJQ-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate
CID 156703245
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
methyl 4-(1,3-dibenzyl-1,3-diazinan-2-yl)benzoate
CID 992690
methyl 4-[1-benzyl-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate
CID 6004699
ethyl 3-benzyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4876075
methyl 4-[(4aS,5S)-6-benzyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinolin-5-yl]benzoate
CID 143004698
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
methyl 4-[3-acetyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-2-yl]benzoate
CID 123173786
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
methyl 4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]benzoate
CID 126174117
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
methyl 4-[(2R)-1-benzyl-3-[(4-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
CID 1310707

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate?
The IUPAC name of methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate (CID 122231365) is methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate?
The canonical SMILES for methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate is COC(=O)c1ccc(C2C(C)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate?
The InChIKey is MOHVHTUOFZNJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-17(15-8-10-16(11-9-15)19(22)23-2)20(18(13)21)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate?
methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate is sourced from PubChem (CID 122231365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).