2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid

C14H17NO2 — CID 117204331

IUPAC2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
SMILESCc1cc2c(C(C)(C)C(=O)O)cccc2n1C
InChIInChI=1S/C14H17NO2/c1-9-8-10-11(14(2,3)13(16)17)6-5-7-12(10)15(9)4/h5-8H,1-4H3,(H,16,17)
InChIKeyAGXJDTLZIWNWAE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid

2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid (PubChem CID 117204331) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
PubChem CID117204331
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
SMILESCc1cc2c(C(C)(C)C(=O)O)cccc2n1C
InChIInChI=1S/C14H17NO2/c1-9-8-10-11(14(2,3)13(16)17)6-5-7-12(10)15(9)4/h5-8H,1-4H3,(H,16,17)
InChIKeyAGXJDTLZIWNWAE-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid (CID 117204331) is 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid is Cc1cc2c(C(C)(C)C(=O)O)cccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid?
The InChIKey is AGXJDTLZIWNWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-8-10-11(14(2,3)13(16)17)6-5-7-12(10)15(9)4/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid?
2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117204331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).