2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid

C14H19NO3 — CID 118941604

IUPAC2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid
SMILESCON1C(C)(C)c2ccc(C(=O)O)cc2C1(C)C
InChIInChI=1S/C14H19NO3/c1-13(2)10-7-6-9(12(16)17)8-11(10)14(3,4)15(13)18-5/h6-8H,1-5H3,(H,16,17)
InChIKeyFAJMOZIUFUFLIG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.73
Rot. Bonds2

About 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid

2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid (PubChem CID 118941604) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid
PubChem CID118941604
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid
SMILESCON1C(C)(C)c2ccc(C(=O)O)cc2C1(C)C
InChIInChI=1S/C14H19NO3/c1-13(2)10-7-6-9(12(16)17)8-11(10)14(3,4)15(13)18-5/h6-8H,1-5H3,(H,16,17)
InChIKeyFAJMOZIUFUFLIG-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid?
The IUPAC name of 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid (CID 118941604) is 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid?
The canonical SMILES for 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid is CON1C(C)(C)c2ccc(C(=O)O)cc2C1(C)C.
What is the InChIKey of 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid?
The InChIKey is FAJMOZIUFUFLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(2)10-7-6-9(12(16)17)8-11(10)14(3,4)15(13)18-5/h6-8H,1-5H3,(H,16,17).
What are the key properties of 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid?
2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,1,3,3-tetramethylisoindole-5-carboxylic acid is sourced from PubChem (CID 118941604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).