3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid

C16H17NO4 — CID 103551734

IUPAC3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C(=O)C3CCC(C(=O)O)C3)c2c1
InChIInChI=1S/C16H17NO4/c1-21-11-4-5-14-12(7-11)13(8-17-14)15(18)9-2-3-10(6-9)16(19)20/h4-5,7-10,17H,2-3,6H2,1H3,(H,19,20)
InChIKeyQBVINJSUICRNJX-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.86
Rot. Bonds4

About 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid

3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103551734) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103551734
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C(=O)C3CCC(C(=O)O)C3)c2c1
InChIInChI=1S/C16H17NO4/c1-21-11-4-5-14-12(7-11)13(8-17-14)15(18)9-2-3-10(6-9)16(19)20/h4-5,7-10,17H,2-3,6H2,1H3,(H,19,20)
InChIKeyQBVINJSUICRNJX-UHFFFAOYSA-N
XLogP2.86
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid (CID 103551734) is 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid is COc1ccc2[nH]cc(C(=O)C3CCC(C(=O)O)C3)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is QBVINJSUICRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-11-4-5-14-12(7-11)13(8-17-14)15(18)9-2-3-10(6-9)16(19)20/h4-5,7-10,17H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid?
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).