2-(2-methyl-1H-indol-6-yl)propanoic acid

C12H13NO2 — CID 117204901

IUPAC2-(2-methyl-1H-indol-6-yl)propanoic acid
SMILESCc1cc2ccc(C(C)C(=O)O)cc2[nH]1
InChIInChI=1S/C12H13NO2/c1-7-5-10-4-3-9(6-11(10)13-7)8(2)12(14)15/h3-6,8,13H,1-2H3,(H,14,15)
InChIKeyOUZHSKCIDZDYGQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-methyl-1H-indol-6-yl)propanoic acid

2-(2-methyl-1H-indol-6-yl)propanoic acid (PubChem CID 117204901) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-6-yl)propanoic acid
PubChem CID117204901
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2-methyl-1H-indol-6-yl)propanoic acid
SMILESCc1cc2ccc(C(C)C(=O)O)cc2[nH]1
InChIInChI=1S/C12H13NO2/c1-7-5-10-4-3-9(6-11(10)13-7)8(2)12(14)15/h3-6,8,13H,1-2H3,(H,14,15)
InChIKeyOUZHSKCIDZDYGQ-UHFFFAOYSA-N
XLogP2.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-(4-fluorophenyl)propanoic acid
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2-(2-methyl-1H-indol-6-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-6-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-1H-indol-6-yl)propanoic acid (CID 117204901) is 2-(2-methyl-1H-indol-6-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-1H-indol-6-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-1H-indol-6-yl)propanoic acid is Cc1cc2ccc(C(C)C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-1H-indol-6-yl)propanoic acid?
The InChIKey is OUZHSKCIDZDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-5-10-4-3-9(6-11(10)13-7)8(2)12(14)15/h3-6,8,13H,1-2H3,(H,14,15).
What are the key properties of 2-(2-methyl-1H-indol-6-yl)propanoic acid?
2-(2-methyl-1H-indol-6-yl)propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-6-yl)propanoic acid is sourced from PubChem (CID 117204901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).