4-(4-methoxyindol-1-yl)butanoic acid

C13H15NO3 — CID 83162861

IUPAC4-(4-methoxyindol-1-yl)butanoic acid
SMILESCOc1cccc2c1ccn2CCCC(=O)O
InChIInChI=1S/C13H15NO3/c1-17-12-5-2-4-11-10(12)7-9-14(11)8-3-6-13(15)16/h2,4-5,7,9H,3,6,8H2,1H3,(H,15,16)
InChIKeyKDNNVOMJIATUPM-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.51
Rot. Bonds5

About 4-(4-methoxyindol-1-yl)butanoic acid

4-(4-methoxyindol-1-yl)butanoic acid (PubChem CID 83162861) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-methoxyindol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-methoxyindol-1-yl)butanoic acid
PubChem CID83162861
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(4-methoxyindol-1-yl)butanoic acid
SMILESCOc1cccc2c1ccn2CCCC(=O)O
InChIInChI=1S/C13H15NO3/c1-17-12-5-2-4-11-10(12)7-9-14(11)8-3-6-13(15)16/h2,4-5,7,9H,3,6,8H2,1H3,(H,15,16)
InChIKeyKDNNVOMJIATUPM-UHFFFAOYSA-N
XLogP2.51
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxyindol-1-yl)butanoic 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

methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
1-heptyl-4-methoxyindole
CID 83174164
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
5-(4-fluoroindol-1-yl)pentanoic acid
CID 82792502
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyindol-1-yl)butanoic acid?
The IUPAC name of 4-(4-methoxyindol-1-yl)butanoic acid (CID 83162861) is 4-(4-methoxyindol-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-methoxyindol-1-yl)butanoic acid?
The canonical SMILES for 4-(4-methoxyindol-1-yl)butanoic acid is COc1cccc2c1ccn2CCCC(=O)O.
What is the InChIKey of 4-(4-methoxyindol-1-yl)butanoic acid?
The InChIKey is KDNNVOMJIATUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-12-5-2-4-11-10(12)7-9-14(11)8-3-6-13(15)16/h2,4-5,7,9H,3,6,8H2,1H3,(H,15,16).
What are the key properties of 4-(4-methoxyindol-1-yl)butanoic acid?
4-(4-methoxyindol-1-yl)butanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyindol-1-yl)butanoic acid is sourced from PubChem (CID 83162861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).