4-[[acetyl(methyl)amino]methyl]benzoic acid

C11H13NO3 — CID 20743666

IUPAC4-[[acetyl(methyl)amino]methyl]benzoic acid
SMILESCC(=O)N(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)7-9-3-5-10(6-4-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyMGPJCVOFSRYOSD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.36
Rot. Bonds3

About 4-[[acetyl(methyl)amino]methyl]benzoic acid

4-[[acetyl(methyl)amino]methyl]benzoic acid (PubChem CID 20743666) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-[[acetyl(methyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[acetyl(methyl)amino]methyl]benzoic acid
PubChem CID20743666
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-[[acetyl(methyl)amino]methyl]benzoic acid
SMILESCC(=O)N(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)7-9-3-5-10(6-4-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyMGPJCVOFSRYOSD-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[acetyl(methyl)amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[acetyl(methyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[acetyl(methyl)amino]methyl]benzoic acid (CID 20743666) is 4-[[acetyl(methyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[acetyl(methyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[acetyl(methyl)amino]methyl]benzoic acid is CC(=O)N(C)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[acetyl(methyl)amino]methyl]benzoic acid?
The InChIKey is MGPJCVOFSRYOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12(2)7-9-3-5-10(6-4-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[[acetyl(methyl)amino]methyl]benzoic acid?
4-[[acetyl(methyl)amino]methyl]benzoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[acetyl(methyl)amino]methyl]benzoic acid is sourced from PubChem (CID 20743666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).