2-[4-(dimethylcarbamoyl)phenyl]acetic acid

C11H13NO3 — CID 11528571

IUPAC2-[4-(dimethylcarbamoyl)phenyl]acetic acid
SMILESCN(C)C(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-12(2)11(15)9-5-3-8(4-6-9)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyADKJFPTXIMSUKG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.02
Rot. Bonds3

About 2-[4-(dimethylcarbamoyl)phenyl]acetic acid

2-[4-(dimethylcarbamoyl)phenyl]acetic acid (PubChem CID 11528571) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)phenyl]acetic acid
PubChem CID11528571
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[4-(dimethylcarbamoyl)phenyl]acetic acid
SMILESCN(C)C(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-12(2)11(15)9-5-3-8(4-6-9)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyADKJFPTXIMSUKG-UHFFFAOYSA-N
XLogP1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(dimethylcarbamoyl)phenyl]acetic acid (CID 11528571) is 2-[4-(dimethylcarbamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)phenyl]acetic acid is CN(C)C(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)phenyl]acetic acid?
The InChIKey is ADKJFPTXIMSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12(2)11(15)9-5-3-8(4-6-9)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(dimethylcarbamoyl)phenyl]acetic acid?
2-[4-(dimethylcarbamoyl)phenyl]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)phenyl]acetic acid is sourced from PubChem (CID 11528571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).