methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate

C13H14N2O4 — CID 71252328

IUPACmethyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(C)=O)C2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-9(16)14-7-8-15(13(14)18)11-5-3-10(4-6-11)12(17)19-2/h3-6H,7-8H2,1-2H3
InChIKeyOOCDYMGQWSRJLL-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.26
Rot. Bonds2

About methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate

methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate (PubChem CID 71252328) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate
PubChem CID71252328
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Namemethyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(C)=O)C2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-9(16)14-7-8-15(13(14)18)11-5-3-10(4-6-11)12(17)19-2/h3-6H,7-8H2,1-2H3
InChIKeyOOCDYMGQWSRJLL-UHFFFAOYSA-N
XLogP1.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 68789034
methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54677884
methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate
CID 117013948
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
methyl 4-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 6542389
methyl 4-[[4-(4-ethylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 42847260
methyl 4-(6-cyano-2-oxo-1,3-oxazinan-3-yl)benzoate
CID 117010510
methyl 4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoate
CID 168670030
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
methyl 4-(4-cyano-2-oxopyrrolidin-1-yl)benzoate
CID 82041731
methyl 4-(5-methyl-3-oxopyrazolidin-1-yl)benzoate
CID 70433974

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate (CID 71252328) is methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate is COC(=O)c1ccc(N2CCN(C(C)=O)C2=O)cc1.
What is the InChIKey of methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is OOCDYMGQWSRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-9(16)14-7-8-15(13(14)18)11-5-3-10(4-6-11)12(17)19-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate?
methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 262.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-acetyl-2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 71252328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).