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

C17H21NO3 — CID 2348075

IUPAC2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCc3ccccc32)CCCC1
InChIInChI=1S/C17H21NO3/c19-15(11-17(12-16(20)21)8-3-4-9-17)18-10-7-13-5-1-2-6-14(13)18/h1-2,5-6H,3-4,7-12H2,(H,20,21)
InChIKeyDWDHUHBMZFRIJZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds4

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

2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 2348075) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID2348075
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCc3ccccc32)CCCC1
InChIInChI=1S/C17H21NO3/c19-15(11-17(12-16(20)21)8-3-4-9-17)18-10-7-13-5-1-2-6-14(13)18/h1-2,5-6H,3-4,7-12H2,(H,20,21)
InChIKeyDWDHUHBMZFRIJZ-UHFFFAOYSA-N
XLogP3.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 2348075) is 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCc3ccccc32)CCCC1.
What is the InChIKey of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is DWDHUHBMZFRIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15(11-17(12-16(20)21)8-3-4-9-17)18-10-7-13-5-1-2-6-14(13)18/h1-2,5-6H,3-4,7-12H2,(H,20,21).
What are the key properties of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 2348075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).