3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid

C17H21NO2 — CID 115115521

IUPAC3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2ccn(C3CCCC3)c2c1)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)10-13-6-7-14-8-9-18(16(14)11-13)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H,19,20)
InChIKeyQONMJYGOESQESG-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.02
Rot. Bonds4

About 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid

3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid (PubChem CID 115115521) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
PubChem CID115115521
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2ccn(C3CCCC3)c2c1)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)10-13-6-7-14-8-9-18(16(14)11-13)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H,19,20)
InChIKeyQONMJYGOESQESG-UHFFFAOYSA-N
XLogP4.02
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid (CID 115115521) is 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid is CC(Cc1ccc2ccn(C3CCCC3)c2c1)C(=O)O.
What is the InChIKey of 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid?
The InChIKey is QONMJYGOESQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(17(19)20)10-13-6-7-14-8-9-18(16(14)11-13)15-4-2-3-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid?
3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 115115521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).