5-(dimethylamino)isoindole-2-carboxylic acid

C11H12N2O2 — CID 155164313

IUPAC5-(dimethylamino)isoindole-2-carboxylic acid
SMILESCN(C)c1ccc2cn(C(=O)O)cc2c1
InChIInChI=1S/C11H12N2O2/c1-12(2)10-4-3-8-6-13(11(14)15)7-9(8)5-10/h3-7H,1-2H3,(H,14,15)
InChIKeyUWCPQCUHKPIQAL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.23
Rot. Bonds1

About 5-(dimethylamino)isoindole-2-carboxylic acid

5-(dimethylamino)isoindole-2-carboxylic acid (PubChem CID 155164313) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(dimethylamino)isoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylamino)isoindole-2-carboxylic acid
PubChem CID155164313
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(dimethylamino)isoindole-2-carboxylic acid
SMILESCN(C)c1ccc2cn(C(=O)O)cc2c1
InChIInChI=1S/C11H12N2O2/c1-12(2)10-4-3-8-6-13(11(14)15)7-9(8)5-10/h3-7H,1-2H3,(H,14,15)
InChIKeyUWCPQCUHKPIQAL-UHFFFAOYSA-N
XLogP2.23
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)isoindole-2-carboxylic acid?
The IUPAC name of 5-(dimethylamino)isoindole-2-carboxylic acid (CID 155164313) is 5-(dimethylamino)isoindole-2-carboxylic acid.
What is the SMILES notation for 5-(dimethylamino)isoindole-2-carboxylic acid?
The canonical SMILES for 5-(dimethylamino)isoindole-2-carboxylic acid is CN(C)c1ccc2cn(C(=O)O)cc2c1.
What is the InChIKey of 5-(dimethylamino)isoindole-2-carboxylic acid?
The InChIKey is UWCPQCUHKPIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12(2)10-4-3-8-6-13(11(14)15)7-9(8)5-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5-(dimethylamino)isoindole-2-carboxylic acid?
5-(dimethylamino)isoindole-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)isoindole-2-carboxylic acid is sourced from PubChem (CID 155164313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).