3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid

C15H19NO3 — CID 43457264

IUPAC3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
SMILESCCOCCn1cc(CCC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-19-10-9-16-11-12(7-8-15(17)18)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyCTOKFUJFTIQWBS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.69
Rot. Bonds7

About 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid

3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid (PubChem CID 43457264) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
PubChem CID43457264
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
SMILESCCOCCn1cc(CCC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-19-10-9-16-11-12(7-8-15(17)18)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyCTOKFUJFTIQWBS-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

2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid
CID 131734474
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
3-[1-(3-cyanopropyl)indol-3-yl]propanoic acid
CID 28600015
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
CID 65177726
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
CID 57168654
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650
3-[1-[2-(carbamoylamino)-2-oxoethyl]indol-3-yl]propanoic acid
CID 28600029

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid (CID 43457264) is 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid is CCOCCn1cc(CCC(=O)O)c2ccccc21.
What is the InChIKey of 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid?
The InChIKey is CTOKFUJFTIQWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-10-9-16-11-12(7-8-15(17)18)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid?
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic 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 3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid is sourced from PubChem (CID 43457264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).