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

C15H21NO3 — CID 80578144

IUPAC2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCCOCCCN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H21NO3/c1-2-19-9-5-8-16-11-12(10-15(17)18)13-6-3-4-7-14(13)16/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,17,18)
InChIKeyXFFYXYBNZCOZKI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds7

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

2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80578144) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80578144
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCCOCCCN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H21NO3/c1-2-19-9-5-8-16-11-12(10-15(17)18)13-6-3-4-7-14(13)16/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,17,18)
InChIKeyXFFYXYBNZCOZKI-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80578144) is 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid is CCOCCCN1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is XFFYXYBNZCOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-9-5-8-16-11-12(10-15(17)18)13-6-3-4-7-14(13)16/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.49, 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)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80578144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).