4-indol-1-yl-2,2-dimethylbutanoic acid

C14H17NO2 — CID 65248466

IUPAC4-indol-1-yl-2,2-dimethylbutanoic acid
SMILESCC(C)(CCn1ccc2ccccc21)C(=O)O
InChIInChI=1S/C14H17NO2/c1-14(2,13(16)17)8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9H,8,10H2,1-2H3,(H,16,17)
InChIKeyLLVSHOJUQSTEOH-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.14
Rot. Bonds4

About 4-indol-1-yl-2,2-dimethylbutanoic acid

4-indol-1-yl-2,2-dimethylbutanoic acid (PubChem CID 65248466) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-indol-1-yl-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-indol-1-yl-2,2-dimethylbutanoic acid
PubChem CID65248466
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-indol-1-yl-2,2-dimethylbutanoic acid
SMILESCC(C)(CCn1ccc2ccccc21)C(=O)O
InChIInChI=1S/C14H17NO2/c1-14(2,13(16)17)8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9H,8,10H2,1-2H3,(H,16,17)
InChIKeyLLVSHOJUQSTEOH-UHFFFAOYSA-N
XLogP3.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-2,2-dimethylbutanoic acid?
The IUPAC name of 4-indol-1-yl-2,2-dimethylbutanoic acid (CID 65248466) is 4-indol-1-yl-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-indol-1-yl-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-indol-1-yl-2,2-dimethylbutanoic acid is CC(C)(CCn1ccc2ccccc21)C(=O)O.
What is the InChIKey of 4-indol-1-yl-2,2-dimethylbutanoic acid?
The InChIKey is LLVSHOJUQSTEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,13(16)17)8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9H,8,10H2,1-2H3,(H,16,17).
What are the key properties of 4-indol-1-yl-2,2-dimethylbutanoic acid?
4-indol-1-yl-2,2-dimethylbutanoic acid has a molecular weight of 231.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).