5-methoxy-1-methylindole-2-carboxylic acid

C11H11NO3 — CID 647460

IUPAC5-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)O)n2C
InChIInChI=1S/C11H11NO3/c1-12-9-4-3-8(15-2)5-7(9)6-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyPLXRUBZTKAYNKQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.89
Rot. Bonds2

About 5-methoxy-1-methylindole-2-carboxylic acid

5-methoxy-1-methylindole-2-carboxylic acid (PubChem CID 647460) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-methoxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-methylindole-2-carboxylic acid
PubChem CID647460
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)O)n2C
InChIInChI=1S/C11H11NO3/c1-12-9-4-3-8(15-2)5-7(9)6-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyPLXRUBZTKAYNKQ-UHFFFAOYSA-N
XLogP1.89
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-methylindole-2-carboxylic acid (CID 647460) is 5-methoxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-methylindole-2-carboxylic acid is COc1ccc2c(c1)cc(C(=O)O)n2C.
What is the InChIKey of 5-methoxy-1-methylindole-2-carboxylic acid?
The InChIKey is PLXRUBZTKAYNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-9-4-3-8(15-2)5-7(9)6-10(12)11(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-methoxy-1-methylindole-2-carboxylic acid?
5-methoxy-1-methylindole-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 647460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).