3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid

C15H19NO2 — CID 117196710

IUPAC3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(CC(C)C(=O)O)cc2cccc(C)c21
InChIInChI=1S/C15H19NO2/c1-4-16-13(8-11(3)15(17)18)9-12-7-5-6-10(2)14(12)16/h5-7,9,11H,4,8H2,1-3H3,(H,17,18)
InChIKeyQGXGVDXMCFMIET-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.23
Rot. Bonds4

About 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid

3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid (PubChem CID 117196710) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
PubChem CID117196710
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(CC(C)C(=O)O)cc2cccc(C)c21
InChIInChI=1S/C15H19NO2/c1-4-16-13(8-11(3)15(17)18)9-12-7-5-6-10(2)14(12)16/h5-7,9,11H,4,8H2,1-3H3,(H,17,18)
InChIKeyQGXGVDXMCFMIET-UHFFFAOYSA-N
XLogP3.23
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid (CID 117196710) is 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid is CCn1c(CC(C)C(=O)O)cc2cccc(C)c21.
What is the InChIKey of 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
The InChIKey is QGXGVDXMCFMIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-16-13(8-11(3)15(17)18)9-12-7-5-6-10(2)14(12)16/h5-7,9,11H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117196710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).