4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid

C13H19NO2 — CID 82494297

IUPAC4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)c(C)n1C1CC1
InChIInChI=1S/C13H19NO2/c1-9-8-11(4-3-5-13(15)16)10(2)14(9)12-6-7-12/h8,12H,3-7H2,1-2H3,(H,15,16)
InChIKeySOZRGHLYRUMTLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.85
Rot. Bonds5

About 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid

4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid (PubChem CID 82494297) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid
PubChem CID82494297
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)c(C)n1C1CC1
InChIInChI=1S/C13H19NO2/c1-9-8-11(4-3-5-13(15)16)10(2)14(9)12-6-7-12/h8,12H,3-7H2,1-2H3,(H,15,16)
InChIKeySOZRGHLYRUMTLO-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-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-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid?
The IUPAC name of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid (CID 82494297) is 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid.
What is the SMILES notation for 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid?
The canonical SMILES for 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid is Cc1cc(CCCC(=O)O)c(C)n1C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid?
The InChIKey is SOZRGHLYRUMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-8-11(4-3-5-13(15)16)10(2)14(9)12-6-7-12/h8,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid?
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid is sourced from PubChem (CID 82494297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).