2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid

C15H19NO3 — CID 117122340

IUPAC2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
SMILESCCn1cc(C(C)(C)C(=O)O)c2ccc(OC)cc21
InChIInChI=1S/C15H19NO3/c1-5-16-9-12(15(2,3)14(17)18)11-7-6-10(19-4)8-13(11)16/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyNDWWBABHFYJVNI-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.03
Rot. Bonds4

About 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid

2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid (PubChem CID 117122340) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
PubChem CID117122340
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
SMILESCCn1cc(C(C)(C)C(=O)O)c2ccc(OC)cc21
InChIInChI=1S/C15H19NO3/c1-5-16-9-12(15(2,3)14(17)18)11-7-6-10(19-4)8-13(11)16/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyNDWWBABHFYJVNI-UHFFFAOYSA-N
XLogP3.03
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-6-methoxyindol-3-yl)propan-2-ol
CID 117122288
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-(1-ethyl-7-hydroxyindol-3-yl)-2-methylpropanoic acid
CID 117197967
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-[1-ethyl-7-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117197367
2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
CID 117197726
1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol
CID 117122286
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid (CID 117122340) is 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid is CCn1cc(C(C)(C)C(=O)O)c2ccc(OC)cc21.
What is the InChIKey of 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid?
The InChIKey is NDWWBABHFYJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-16-9-12(15(2,3)14(17)18)11-7-6-10(19-4)8-13(11)16/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid?
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117122340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).