2-methyl-2-(1-methylindol-5-yl)propanoic acid

C13H15NO2 — CID 115114970

IUPAC2-methyl-2-(1-methylindol-5-yl)propanoic acid
SMILESCn1ccc2cc(C(C)(C)C(=O)O)ccc21
InChIInChI=1S/C13H15NO2/c1-13(2,12(15)16)10-4-5-11-9(8-10)6-7-14(11)3/h4-8H,1-3H3,(H,15,16)
InChIKeyWFLXHIIKWNIYQU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.54
Rot. Bonds2

About 2-methyl-2-(1-methylindol-5-yl)propanoic acid

2-methyl-2-(1-methylindol-5-yl)propanoic acid (PubChem CID 115114970) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-2-(1-methylindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-methylindol-5-yl)propanoic acid
PubChem CID115114970
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-2-(1-methylindol-5-yl)propanoic acid
SMILESCn1ccc2cc(C(C)(C)C(=O)O)ccc21
InChIInChI=1S/C13H15NO2/c1-13(2,12(15)16)10-4-5-11-9(8-10)6-7-14(11)3/h4-8H,1-3H3,(H,15,16)
InChIKeyWFLXHIIKWNIYQU-UHFFFAOYSA-N
XLogP2.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylindol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1-methylindol-5-yl)propanoic acid (CID 115114970) is 2-methyl-2-(1-methylindol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-methylindol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-methylindol-5-yl)propanoic acid is Cn1ccc2cc(C(C)(C)C(=O)O)ccc21.
What is the InChIKey of 2-methyl-2-(1-methylindol-5-yl)propanoic acid?
The InChIKey is WFLXHIIKWNIYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,12(15)16)10-4-5-11-9(8-10)6-7-14(11)3/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(1-methylindol-5-yl)propanoic acid?
2-methyl-2-(1-methylindol-5-yl)propanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylindol-5-yl)propanoic acid is sourced from PubChem (CID 115114970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).