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

C16H21NO2 — CID 115115341

IUPAC2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1CCN2C1CCCC1
InChIInChI=1S/C16H21NO2/c1-11(16(18)19)13-7-4-8-15-14(13)9-10-17(15)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyHXMKUBJGXZTRLY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds3

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

2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid (PubChem CID 115115341) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid
PubChem CID115115341
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1CCN2C1CCCC1
InChIInChI=1S/C16H21NO2/c1-11(16(18)19)13-7-4-8-15-14(13)9-10-17(15)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyHXMKUBJGXZTRLY-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
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)propanoic acid?
The IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid (CID 115115341) is 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid?
The canonical SMILES for 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid is CC(C(=O)O)c1cccc2c1CCN2C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid?
The InChIKey is HXMKUBJGXZTRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(16(18)19)13-7-4-8-15-14(13)9-10-17(15)12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid?
2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid has a molecular weight of 259.35 g/mol, XLogP of 3.18, 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)propanoic acid is sourced from PubChem (CID 115115341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).