2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid

C13H15NO2 — CID 67337571

IUPAC2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
SMILESCc1cc(C)c2c(C(C)C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H15NO2/c1-7-4-8(2)12-10(9(3)13(15)16)6-14-11(12)5-7/h4-6,9,14H,1-3H3,(H,15,16)
InChIKeyAWMOZJKSTFHYOA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.97
Rot. Bonds2

About 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid

2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid (PubChem CID 67337571) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
PubChem CID67337571
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
SMILESCc1cc(C)c2c(C(C)C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H15NO2/c1-7-4-8(2)12-10(9(3)13(15)16)6-14-11(12)5-7/h4-6,9,14H,1-3H3,(H,15,16)
InChIKeyAWMOZJKSTFHYOA-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid (CID 67337571) is 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid is Cc1cc(C)c2c(C(C)C(=O)O)c[nH]c2c1.
What is the InChIKey of 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid?
The InChIKey is AWMOZJKSTFHYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-7-4-8(2)12-10(9(3)13(15)16)6-14-11(12)5-7/h4-6,9,14H,1-3H3,(H,15,16).
What are the key properties of 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid?
2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 67337571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).