2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid

C15H19NO3 — CID 65175428

IUPAC2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
SMILESCCOCCCn1cc(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-19-9-5-8-16-11-12(10-15(17)18)13-6-3-4-7-14(13)16/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,17,18)
InChIKeyLCTBVXRXICBCHH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.69
Rot. Bonds7

About 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid

2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid (PubChem CID 65175428) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
PubChem CID65175428
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
SMILESCCOCCCn1cc(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-19-9-5-8-16-11-12(10-15(17)18)13-6-3-4-7-14(13)16/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,17,18)
InChIKeyLCTBVXRXICBCHH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
CID 65177726
2-[1-(3-cyanopropyl)indol-3-yl]acetic acid
CID 28599811
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
2-[4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444838
2-(1-but-3-ynylindol-3-yl)acetic acid
CID 63655086
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
2-[1-(3-methylbut-2-enyl)indol-3-yl]acetic acid
CID 28599761
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate
CID 143393503

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid (CID 65175428) is 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid is CCOCCCn1cc(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid?
The InChIKey is LCTBVXRXICBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-9-5-8-16-11-12(10-15(17)18)13-6-3-4-7-14(13)16/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid?
2-[1-(3-ethoxypropyl)indol-3-yl]acetic 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 2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid is sourced from PubChem (CID 65175428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).