2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid

C14H16N2O2 — CID 115146312

IUPAC2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
SMILESCN(c1[nH]c2ccccc2c1C(=O)O)C1CCC1
InChIInChI=1S/C14H16N2O2/c1-16(9-5-4-6-9)13-12(14(17)18)10-7-2-3-8-11(10)15-13/h2-3,7-9,15H,4-6H2,1H3,(H,17,18)
InChIKeyACNVCHOIYHJITM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.85
Rot. Bonds3

About 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid

2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid (PubChem CID 115146312) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
PubChem CID115146312
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
SMILESCN(c1[nH]c2ccccc2c1C(=O)O)C1CCC1
InChIInChI=1S/C14H16N2O2/c1-16(9-5-4-6-9)13-12(14(17)18)10-7-2-3-8-11(10)15-13/h2-3,7-9,15H,4-6H2,1H3,(H,17,18)
InChIKeyACNVCHOIYHJITM-UHFFFAOYSA-N
XLogP2.85
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[cyclobutyl(methyl)amino]-1H-indole-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid?
The IUPAC name of 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid (CID 115146312) is 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid is CN(c1[nH]c2ccccc2c1C(=O)O)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid?
The InChIKey is ACNVCHOIYHJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(9-5-4-6-9)13-12(14(17)18)10-7-2-3-8-11(10)15-13/h2-3,7-9,15H,4-6H2,1H3,(H,17,18).
What are the key properties of 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid?
2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 115146312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).