4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid

C8H11NO4 — CID 69333718

IUPAC4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid
SMILESCOc1cc(C(=O)O)n(C)c1OC
InChIInChI=1S/C8H11NO4/c1-9-5(8(10)11)4-6(12-2)7(9)13-3/h4H,1-3H3,(H,10,11)
InChIKeyOJJDBHJDWHKWMO-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.74
Rot. Bonds3

About 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid

4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid (PubChem CID 69333718) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid
PubChem CID69333718
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid
SMILESCOc1cc(C(=O)O)n(C)c1OC
InChIInChI=1S/C8H11NO4/c1-9-5(8(10)11)4-6(12-2)7(9)13-3/h4H,1-3H3,(H,10,11)
InChIKeyOJJDBHJDWHKWMO-UHFFFAOYSA-N
XLogP0.74
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethoxy-1-methylpyrrole-2-carboxylic 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 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid (CID 69333718) is 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid is COc1cc(C(=O)O)n(C)c1OC.
What is the InChIKey of 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OJJDBHJDWHKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-9-5(8(10)11)4-6(12-2)7(9)13-3/h4H,1-3H3,(H,10,11).
What are the key properties of 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid?
4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 69333718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).