4-(2-methylpyrrol-1-yl)butanoic acid

C9H13NO2 — CID 86172313

IUPAC4-(2-methylpyrrol-1-yl)butanoic acid
SMILESCc1cccn1CCCC(=O)O
InChIInChI=1S/C9H13NO2/c1-8-4-2-6-10(8)7-3-5-9(11)12/h2,4,6H,3,5,7H2,1H3,(H,11,12)
InChIKeyCLHGJYGDEQMLPV-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.66
Rot. Bonds4

About 4-(2-methylpyrrol-1-yl)butanoic acid

4-(2-methylpyrrol-1-yl)butanoic acid (PubChem CID 86172313) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2-methylpyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-methylpyrrol-1-yl)butanoic acid
PubChem CID86172313
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2-methylpyrrol-1-yl)butanoic acid
SMILESCc1cccn1CCCC(=O)O
InChIInChI=1S/C9H13NO2/c1-8-4-2-6-10(8)7-3-5-9(11)12/h2,4,6H,3,5,7H2,1H3,(H,11,12)
InChIKeyCLHGJYGDEQMLPV-UHFFFAOYSA-N
XLogP1.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpyrrol-1-yl)butanoic 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-(2-methylpyrrol-1-yl)butanoic acid?
The IUPAC name of 4-(2-methylpyrrol-1-yl)butanoic acid (CID 86172313) is 4-(2-methylpyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-methylpyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-methylpyrrol-1-yl)butanoic acid is Cc1cccn1CCCC(=O)O.
What is the InChIKey of 4-(2-methylpyrrol-1-yl)butanoic acid?
The InChIKey is CLHGJYGDEQMLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8-4-2-6-10(8)7-3-5-9(11)12/h2,4,6H,3,5,7H2,1H3,(H,11,12).
What are the key properties of 4-(2-methylpyrrol-1-yl)butanoic acid?
4-(2-methylpyrrol-1-yl)butanoic acid has a molecular weight of 167.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrol-1-yl)butanoic acid is sourced from PubChem (CID 86172313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).