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

C15H21NO2 — CID 117198325

IUPAC3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
SMILESCc1cccc2c1CC(CC(C)(C)C(=O)O)N2C
InChIInChI=1S/C15H21NO2/c1-10-6-5-7-13-12(10)8-11(16(13)4)9-15(2,3)14(17)18/h5-7,11H,8-9H2,1-4H3,(H,17,18)
InChIKeyHOIHKRDUGKYDRT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds3

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

3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid (PubChem CID 117198325) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
PubChem CID117198325
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
SMILESCc1cccc2c1CC(CC(C)(C)C(=O)O)N2C
InChIInChI=1S/C15H21NO2/c1-10-6-5-7-13-12(10)8-11(16(13)4)9-15(2,3)14(17)18/h5-7,11H,8-9H2,1-4H3,(H,17,18)
InChIKeyHOIHKRDUGKYDRT-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117199628
1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 115024025
2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
CID 117202969
1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 45120188
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propanoic acid
CID 117199357
3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
1-(4-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198329
2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
CID 105472702
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860886
3-(4-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117199030
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid (CID 117198325) is 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid is Cc1cccc2c1CC(CC(C)(C)C(=O)O)N2C.
What is the InChIKey of 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid?
The InChIKey is HOIHKRDUGKYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-5-7-13-12(10)8-11(16(13)4)9-15(2,3)14(17)18/h5-7,11H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid?
3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117198325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).