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

C17H23NO2 — CID 115115430

IUPAC2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1Cc2ccccc2N1C1CCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,16(19)20)15-11-12-7-3-6-10-14(12)18(15)13-8-4-5-9-13/h3,6-7,10,13,15H,4-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyCQRCLEYCCWUZPU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.47
Rot. Bonds3

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

2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (PubChem CID 115115430) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
PubChem CID115115430
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1Cc2ccccc2N1C1CCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,16(19)20)15-11-12-7-3-6-10-14(12)18(15)13-8-4-5-9-13/h3,6-7,10,13,15H,4-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyCQRCLEYCCWUZPU-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-methyl-2,3-dihydroindole
CID 54011888
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903079
tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10739815
2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
CID 115115342
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
(2-tert-butyl-2,3-dihydroindol-1-yl)methanol
CID 159596855
2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199203
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
CID 63530964
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
2,2-dimethyl-3-[(3S)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 157401411

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (CID 115115430) is 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1Cc2ccccc2N1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The InChIKey is CQRCLEYCCWUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,16(19)20)15-11-12-7-3-6-10-14(12)18(15)13-8-4-5-9-13/h3,6-7,10,13,15H,4-5,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
2-(1-cyclopentyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.47, 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-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 115115430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).