3-methoxy-1-propylindole-2-carboxylic acid

C13H15NO3 — CID 154108725

IUPAC3-methoxy-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)c(OC)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-3-8-14-10-7-5-4-6-9(10)12(17-2)11(14)13(15)16/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyGAMUQQXXIQAIIC-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.76
Rot. Bonds4

About 3-methoxy-1-propylindole-2-carboxylic acid

3-methoxy-1-propylindole-2-carboxylic acid (PubChem CID 154108725) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methoxy-1-propylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-propylindole-2-carboxylic acid
PubChem CID154108725
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-methoxy-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)c(OC)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-3-8-14-10-7-5-4-6-9(10)12(17-2)11(14)13(15)16/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyGAMUQQXXIQAIIC-UHFFFAOYSA-N
XLogP2.76
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propylindole-2-carboxylic acid?
The IUPAC name of 3-methoxy-1-propylindole-2-carboxylic acid (CID 154108725) is 3-methoxy-1-propylindole-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-propylindole-2-carboxylic acid?
The canonical SMILES for 3-methoxy-1-propylindole-2-carboxylic acid is CCCn1c(C(=O)O)c(OC)c2ccccc21.
What is the InChIKey of 3-methoxy-1-propylindole-2-carboxylic acid?
The InChIKey is GAMUQQXXIQAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-8-14-10-7-5-4-6-9(10)12(17-2)11(14)13(15)16/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-1-propylindole-2-carboxylic acid?
3-methoxy-1-propylindole-2-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propylindole-2-carboxylic acid is sourced from PubChem (CID 154108725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).