1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid

C14H15NO3 — CID 82085731

IUPAC1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccccc1OC
InChIInChI=1S/C14H15NO3/c1-3-15-11(8-9-12(15)14(16)17)10-6-4-5-7-13(10)18-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyVZXVZPDOWIXUNX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.88
Rot. Bonds4

About 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid

1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid (PubChem CID 82085731) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
PubChem CID82085731
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccccc1OC
InChIInChI=1S/C14H15NO3/c1-3-15-11(8-9-12(15)14(16)17)10-6-4-5-7-13(10)18-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyVZXVZPDOWIXUNX-UHFFFAOYSA-N
XLogP2.88
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-(2-methoxyphenyl)pyrrole-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

Related Compounds

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 43671786
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
CID 117222284
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 43671806
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
CID 20848740
5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82089839
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid (CID 82085731) is 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid is CCn1c(C(=O)O)ccc1-c1ccccc1OC.
What is the InChIKey of 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid?
The InChIKey is VZXVZPDOWIXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-15-11(8-9-12(15)14(16)17)10-6-4-5-7-13(10)18-2/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid?
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 82085731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).