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

C14H17NO3 — CID 117122339

IUPAC2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
SMILESCCn1cc(C(C)C(=O)O)c2ccc(OC)cc21
InChIInChI=1S/C14H17NO3/c1-4-15-8-12(9(2)14(16)17)11-6-5-10(18-3)7-13(11)15/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyLHLWKLYIXFFCJJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.86
Rot. Bonds4

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

2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid (PubChem CID 117122339) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
PubChem CID117122339
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
SMILESCCn1cc(C(C)C(=O)O)c2ccc(OC)cc21
InChIInChI=1S/C14H17NO3/c1-4-15-8-12(9(2)14(16)17)11-6-5-10(18-3)7-13(11)15/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyLHLWKLYIXFFCJJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
CID 117122340
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
2-(1-ethyl-6-methoxyindol-3-yl)propan-2-ol
CID 117122288
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
(2S)-2-[1-[9-[2-[(1S)-1-carboxyethyl]-6-methoxynaphthalen-1-yl]nonyl]-6-methoxynaphthalen-2-yl]propanoic acid
CID 178182940

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid?
The IUPAC name of 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid (CID 117122339) is 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid.
What is the SMILES notation for 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid?
The canonical SMILES for 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid is CCn1cc(C(C)C(=O)O)c2ccc(OC)cc21.
What is the InChIKey of 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid?
The InChIKey is LHLWKLYIXFFCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-15-8-12(9(2)14(16)17)11-6-5-10(18-3)7-13(11)15/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid?
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.86, 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)propanoic acid is sourced from PubChem (CID 117122339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).