2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid

C16H19NO2 — CID 115115319

IUPAC2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cn(C2CCC2)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-16(2,15(18)19)13-10-17(11-6-5-7-11)14-9-4-3-8-12(13)14/h3-4,8-11H,5-7H2,1-2H3,(H,18,19)
InChIKeyZKEHZWLKUWGEHN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.73
Rot. Bonds3

About 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid

2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid (PubChem CID 115115319) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid
PubChem CID115115319
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cn(C2CCC2)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-16(2,15(18)19)13-10-17(11-6-5-7-11)14-9-4-3-8-12(13)14/h3-4,8-11H,5-7H2,1-2H3,(H,18,19)
InChIKeyZKEHZWLKUWGEHN-UHFFFAOYSA-N
XLogP3.73
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid (CID 115115319) is 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cn(C2CCC2)c2ccccc12.
What is the InChIKey of 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid?
The InChIKey is ZKEHZWLKUWGEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,15(18)19)13-10-17(11-6-5-7-11)14-9-4-3-8-12(13)14/h3-4,8-11H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid?
2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 115115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).