1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid

C13H15NO3 — CID 661104

IUPAC1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCCn1c(C)c(C(=O)O)c2cc(OC)ccc21
InChIInChI=1S/C13H15NO3/c1-4-14-8(2)12(13(15)16)10-7-9(17-3)5-6-11(10)14/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyFLWUGEDKKNENRR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.68
Rot. Bonds3

About 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid

1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid (PubChem CID 661104) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid
PubChem CID661104
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCCn1c(C)c(C(=O)O)c2cc(OC)ccc21
InChIInChI=1S/C13H15NO3/c1-4-14-8(2)12(13(15)16)10-7-9(17-3)5-6-11(10)14/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyFLWUGEDKKNENRR-UHFFFAOYSA-N
XLogP2.68
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 616236
CID 616236
CID 11493740
CID 11493740
CID 14144546
CID 14144546
CID 647460
CID 647460
CID 781247
CID 781247
CID 76151
CID 76151
CID 447835
CID 447835
CID 1372
CID 1372
CID 4177957
CID 4177957
CID 628089
CID 628089
CID 748686
CID 748686
CID 1082708
CID 1082708

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid (CID 661104) is 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid is CCn1c(C)c(C(=O)O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid?
The InChIKey is FLWUGEDKKNENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-14-8(2)12(13(15)16)10-7-9(17-3)5-6-11(10)14/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid?
1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid is sourced from PubChem (CID 661104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).