methyl 2-(4-acetamidophenyl)acetate

C11H13NO3 — CID 571855

IUPACmethyl 2-(4-acetamidophenyl)acetate
SMILESCOC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyZWJLFLBVYIJQAZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-(4-acetamidophenyl)acetate

methyl 2-(4-acetamidophenyl)acetate (PubChem CID 571855) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-acetamidophenyl)acetate
PubChem CID571855
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-(4-acetamidophenyl)acetate
SMILESCOC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyZWJLFLBVYIJQAZ-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of methyl 2-(4-acetamidophenyl)acetate (CID 571855) is methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for methyl 2-(4-acetamidophenyl)acetate is COC(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is ZWJLFLBVYIJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-(4-acetamidophenyl)acetate?
methyl 2-(4-acetamidophenyl)acetate has a molecular weight of 207.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 571855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).