3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid

C14H15NO2 — CID 139695421

IUPAC3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C14H15NO2/c16-14(17)11-6-5-10(7-11)13-8-9-3-1-2-4-12(9)15-13/h1-4,8,10-11,15H,5-7H2,(H,16,17)
InChIKeyWHJNTOXSVRLFIR-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.14
Rot. Bonds2

About 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid

3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 139695421) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID139695421
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C14H15NO2/c16-14(17)11-6-5-10(7-11)13-8-9-3-1-2-4-12(9)15-13/h1-4,8,10-11,15H,5-7H2,(H,16,17)
InChIKeyWHJNTOXSVRLFIR-UHFFFAOYSA-N
XLogP3.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
CID 155903939
2-(oxetan-3-yl)-1H-indole
CID 151869222
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151803
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid (CID 139695421) is 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is WHJNTOXSVRLFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(17)11-6-5-10(7-11)13-8-9-3-1-2-4-12(9)15-13/h1-4,8,10-11,15H,5-7H2,(H,16,17).
What are the key properties of 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid?
3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 139695421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).