2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid

C15H21NO2 — CID 117201885

IUPAC2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCCN1CC(C(C)(C)C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C15H21NO2/c1-5-16-9-12(15(3,4)14(17)18)11-8-10(2)6-7-13(11)16/h6-8,12H,5,9H2,1-4H3,(H,17,18)
InChIKeyXOLSMHIGBJSRGF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid

2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (PubChem CID 117201885) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
PubChem CID117201885
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCCN1CC(C(C)(C)C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C15H21NO2/c1-5-16-9-12(15(3,4)14(17)18)11-8-10(2)6-7-13(11)16/h6-8,12H,5,9H2,1-4H3,(H,17,18)
InChIKeyXOLSMHIGBJSRGF-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (CID 117201885) is 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is CCN1CC(C(C)(C)C(=O)O)c2cc(C)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The InChIKey is XOLSMHIGBJSRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-16-9-12(15(3,4)14(17)18)11-8-10(2)6-7-13(11)16/h6-8,12H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117201885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).