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

C11H11NO3 — CID 151729428

IUPAC1-methoxy-2-methylindole-5-carboxylic acid
SMILESCOn1c(C)cc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO3/c1-7-5-9-6-8(11(13)14)3-4-10(9)12(7)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyRKGHIYGISMQVRC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.71
Rot. Bonds2

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

1-methoxy-2-methylindole-5-carboxylic acid (PubChem CID 151729428) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-methoxy-2-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-2-methylindole-5-carboxylic acid
PubChem CID151729428
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-methoxy-2-methylindole-5-carboxylic acid
SMILESCOn1c(C)cc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO3/c1-7-5-9-6-8(11(13)14)3-4-10(9)12(7)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyRKGHIYGISMQVRC-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
2-(aminomethyl)-1-methylindole-5-carboxylic acid
CID 83832423
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
2-[(dimethylamino)methyl]-1-methylindole-5-carboxylic acid
CID 117176930
6-methoxy-8-methylnaphthalene-2-carboxylic acid
CID 91342248
1-propan-2-yl-2-(propan-2-yloxymethyl)indole-5-carboxylic acid
CID 117177475

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylindole-5-carboxylic acid?
The IUPAC name of 1-methoxy-2-methylindole-5-carboxylic acid (CID 151729428) is 1-methoxy-2-methylindole-5-carboxylic acid.
What is the SMILES notation for 1-methoxy-2-methylindole-5-carboxylic acid?
The canonical SMILES for 1-methoxy-2-methylindole-5-carboxylic acid is COn1c(C)cc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methoxy-2-methylindole-5-carboxylic acid?
The InChIKey is RKGHIYGISMQVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-5-9-6-8(11(13)14)3-4-10(9)12(7)15-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-methoxy-2-methylindole-5-carboxylic acid?
1-methoxy-2-methylindole-5-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylindole-5-carboxylic acid is sourced from PubChem (CID 151729428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).