2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid

C14H17NO2 — CID 83859664

IUPAC2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
SMILESCCc1cccc2c(C)c(C(C)C(=O)O)[nH]c12
InChIInChI=1S/C14H17NO2/c1-4-10-6-5-7-11-8(2)12(15-13(10)11)9(3)14(16)17/h5-7,9,15H,4H2,1-3H3,(H,16,17)
InChIKeyYFZSYZHMZJCDBK-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.23
Rot. Bonds3

About 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid

2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid (PubChem CID 83859664) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
PubChem CID83859664
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
SMILESCCc1cccc2c(C)c(C(C)C(=O)O)[nH]c12
InChIInChI=1S/C14H17NO2/c1-4-10-6-5-7-11-8(2)12(15-13(10)11)9(3)14(16)17/h5-7,9,15H,4H2,1-3H3,(H,16,17)
InChIKeyYFZSYZHMZJCDBK-UHFFFAOYSA-N
XLogP3.23
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(7-ethyl-3-methyl-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-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid (CID 83859664) is 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid is CCc1cccc2c(C)c(C(C)C(=O)O)[nH]c12.
What is the InChIKey of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
The InChIKey is YFZSYZHMZJCDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-6-5-7-11-8(2)12(15-13(10)11)9(3)14(16)17/h5-7,9,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 83859664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).