2-(1H-pyrrol-2-yl)acetic acid

C6H7NO2 — CID 4220146

IUPAC2-(1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)Cc1ccc[nH]1
InChIInChI=1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)
InChIKeyGVUHUYQEAGMUNJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.64
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)acetic acid

2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 4220146) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)acetic acid
PubChem CID4220146
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2-(1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)Cc1ccc[nH]1
InChIInChI=1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)
InChIKeyGVUHUYQEAGMUNJ-UHFFFAOYSA-N
XLogP0.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(1H-pyrrol-2-yl)acetic 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-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)acetic acid (CID 4220146) is 2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)acetic acid is O=C(O)Cc1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is GVUHUYQEAGMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9).
What are the key properties of 2-(1H-pyrrol-2-yl)acetic acid?
2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 125.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 4220146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).