3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid

C16H23NO2 — CID 117199628

IUPAC3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
SMILESCCN1CC(CC(C)(C)C(=O)O)c2c(C)cccc21
InChIInChI=1S/C16H23NO2/c1-5-17-10-12(9-16(3,4)15(18)19)14-11(2)7-6-8-13(14)17/h6-8,12H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyQYGSPVCAXIVFGI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds4

About 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid

3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid (PubChem CID 117199628) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
PubChem CID117199628
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
SMILESCCN1CC(CC(C)(C)C(=O)O)c2c(C)cccc21
InChIInChI=1S/C16H23NO2/c1-5-17-10-12(9-16(3,4)15(18)19)14-11(2)7-6-8-13(14)17/h6-8,12H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyQYGSPVCAXIVFGI-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid (CID 117199628) is 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid is CCN1CC(CC(C)(C)C(=O)O)c2c(C)cccc21.
What is the InChIKey of 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
The InChIKey is QYGSPVCAXIVFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-17-10-12(9-16(3,4)15(18)19)14-11(2)7-6-8-13(14)17/h6-8,12H,5,9-10H2,1-4H3,(H,18,19).
What are the key properties of 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117199628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).