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

C14H19NO2 — CID 117202969

IUPAC2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
SMILESCC1Cc2c(cccc2C(C)(C)C(=O)O)N1C
InChIInChI=1S/C14H19NO2/c1-9-8-10-11(14(2,3)13(16)17)6-5-7-12(10)15(9)4/h5-7,9H,8H2,1-4H3,(H,16,17)
InChIKeyRKUKWXOOIPOTST-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds2

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

2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid (PubChem CID 117202969) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
PubChem CID117202969
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
SMILESCC1Cc2c(cccc2C(C)(C)C(=O)O)N1C
InChIInChI=1S/C14H19NO2/c1-9-8-10-11(14(2,3)13(16)17)6-5-7-12(10)15(9)4/h5-7,9H,8H2,1-4H3,(H,16,17)
InChIKeyRKUKWXOOIPOTST-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid (CID 117202969) is 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid is CC1Cc2c(cccc2C(C)(C)C(=O)O)N1C.
What is the InChIKey of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
The InChIKey is RKUKWXOOIPOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-8-10-11(14(2,3)13(16)17)6-5-7-12(10)15(9)4/h5-7,9H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid?
2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117202969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).