4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid

C15H19NO3 — CID 43246925

IUPAC4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
SMILESCOCCn1cc(CCCC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-19-10-9-16-11-12(5-4-8-15(17)18)13-6-2-3-7-14(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyOYUQOUNNXUNJJE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.69
Rot. Bonds7

About 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid

4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid (PubChem CID 43246925) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
PubChem CID43246925
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
SMILESCOCCn1cc(CCCC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-19-10-9-16-11-12(5-4-8-15(17)18)13-6-2-3-7-14(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyOYUQOUNNXUNJJE-UHFFFAOYSA-N
XLogP2.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
CID 57168654
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
CID 71704377
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid
CID 131734474
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid?
The IUPAC name of 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid (CID 43246925) is 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid.
What is the SMILES notation for 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid?
The canonical SMILES for 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid is COCCn1cc(CCCC(=O)O)c2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid?
The InChIKey is OYUQOUNNXUNJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-10-9-16-11-12(5-4-8-15(17)18)13-6-2-3-7-14(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid?
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid is sourced from PubChem (CID 43246925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).