2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid

C17H23NO2 — CID 115115342

IUPAC2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc2c1CCN2C1CCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,16(19)20)14-8-5-9-15-13(14)10-11-18(15)12-6-3-4-7-12/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyFFNANEPRQHTNSJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.35
Rot. Bonds3

About 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid

2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid (PubChem CID 115115342) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
PubChem CID115115342
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc2c1CCN2C1CCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,16(19)20)14-8-5-9-15-13(14)10-11-18(15)12-6-3-4-7-12/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyFFNANEPRQHTNSJ-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid (CID 115115342) is 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc2c1CCN2C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
The InChIKey is FFNANEPRQHTNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,16(19)20)14-8-5-9-15-13(14)10-11-18(15)12-6-3-4-7-12/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 115115342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).