2-(5-ethyl-1H-indol-2-yl)propanoic acid

C13H15NO2 — CID 83859523

IUPAC2-(5-ethyl-1H-indol-2-yl)propanoic acid
SMILESCCc1ccc2[nH]c(C(C)C(=O)O)cc2c1
InChIInChI=1S/C13H15NO2/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13(15)16/h4-8,14H,3H2,1-2H3,(H,15,16)
InChIKeyPLCRMTNHUPEAJV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.92
Rot. Bonds3

About 2-(5-ethyl-1H-indol-2-yl)propanoic acid

2-(5-ethyl-1H-indol-2-yl)propanoic acid (PubChem CID 83859523) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-ethyl-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-ethyl-1H-indol-2-yl)propanoic acid
PubChem CID83859523
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(5-ethyl-1H-indol-2-yl)propanoic acid
SMILESCCc1ccc2[nH]c(C(C)C(=O)O)cc2c1
InChIInChI=1S/C13H15NO2/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13(15)16/h4-8,14H,3H2,1-2H3,(H,15,16)
InChIKeyPLCRMTNHUPEAJV-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(5-ethyl-1H-indol-2-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-(5-ethyl-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(5-ethyl-1H-indol-2-yl)propanoic acid (CID 83859523) is 2-(5-ethyl-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-ethyl-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(5-ethyl-1H-indol-2-yl)propanoic acid is CCc1ccc2[nH]c(C(C)C(=O)O)cc2c1.
What is the InChIKey of 2-(5-ethyl-1H-indol-2-yl)propanoic acid?
The InChIKey is PLCRMTNHUPEAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13(15)16/h4-8,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-ethyl-1H-indol-2-yl)propanoic acid?
2-(5-ethyl-1H-indol-2-yl)propanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 83859523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).