5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid

C12H16N2O4 — CID 746910

IUPAC5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid
SMILESCOc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(15)13-9-5-8(12(16)17)11(18-4)6-10(9)14(2)3/h5-6H,1-4H3,(H,13,15)(H,16,17)
InChIKeyBVLBYOCOCJJVMG-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.42
Rot. Bonds4

About 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid

5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid (PubChem CID 746910) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid
PubChem CID746910
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid
SMILESCOc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(15)13-9-5-8(12(16)17)11(18-4)6-10(9)14(2)3/h5-6H,1-4H3,(H,13,15)(H,16,17)
InChIKeyBVLBYOCOCJJVMG-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-acetamido-4-(dimethylamino)-2-methoxybenzoic 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 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid?
The IUPAC name of 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid (CID 746910) is 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid?
The canonical SMILES for 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid is COc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O.
What is the InChIKey of 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid?
The InChIKey is BVLBYOCOCJJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(15)13-9-5-8(12(16)17)11(18-4)6-10(9)14(2)3/h5-6H,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid?
5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-(dimethylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 746910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).