2-(1-methylpyrrol-3-yl)propanoic acid

C8H11NO2 — CID 82280163

IUPAC2-(1-methylpyrrol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1ccn(C)c1
InChIInChI=1S/C8H11NO2/c1-6(8(10)11)7-3-4-9(2)5-7/h3-6H,1-2H3,(H,10,11)
InChIKeySLTHRCFUFHAAPU-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.21
Rot. Bonds2

About 2-(1-methylpyrrol-3-yl)propanoic acid

2-(1-methylpyrrol-3-yl)propanoic acid (PubChem CID 82280163) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)propanoic acid
PubChem CID82280163
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(1-methylpyrrol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1ccn(C)c1
InChIInChI=1S/C8H11NO2/c1-6(8(10)11)7-3-4-9(2)5-7/h3-6H,1-2H3,(H,10,11)
InChIKeySLTHRCFUFHAAPU-UHFFFAOYSA-N
XLogP1.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-methylpyrrol-3-yl)propanoic 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 2-(1-methylpyrrol-3-yl)propanoic acid?
The IUPAC name of 2-(1-methylpyrrol-3-yl)propanoic acid (CID 82280163) is 2-(1-methylpyrrol-3-yl)propanoic acid.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)propanoic acid?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)propanoic acid is CC(C(=O)O)c1ccn(C)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)propanoic acid?
The InChIKey is SLTHRCFUFHAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(8(10)11)7-3-4-9(2)5-7/h3-6H,1-2H3,(H,10,11).
What are the key properties of 2-(1-methylpyrrol-3-yl)propanoic acid?
2-(1-methylpyrrol-3-yl)propanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)propanoic acid is sourced from PubChem (CID 82280163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).