5-(methylamino)isoindole-2-carboxylic acid

C10H10N2O2 — CID 155164311

IUPAC5-(methylamino)isoindole-2-carboxylic acid
SMILESCNc1ccc2cn(C(=O)O)cc2c1
InChIInChI=1S/C10H10N2O2/c1-11-9-3-2-7-5-12(10(13)14)6-8(7)4-9/h2-6,11H,1H3,(H,13,14)
InChIKeyJGZLHDWXZMWHPM-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.21
Rot. Bonds1

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

5-(methylamino)isoindole-2-carboxylic acid (PubChem CID 155164311) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-(methylamino)isoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(methylamino)isoindole-2-carboxylic acid
PubChem CID155164311
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-(methylamino)isoindole-2-carboxylic acid
SMILESCNc1ccc2cn(C(=O)O)cc2c1
InChIInChI=1S/C10H10N2O2/c1-11-9-3-2-7-5-12(10(13)14)6-8(7)4-9/h2-6,11H,1H3,(H,13,14)
InChIKeyJGZLHDWXZMWHPM-UHFFFAOYSA-N
XLogP2.21
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)isoindole-2-carboxylic acid?
The IUPAC name of 5-(methylamino)isoindole-2-carboxylic acid (CID 155164311) is 5-(methylamino)isoindole-2-carboxylic acid.
What is the SMILES notation for 5-(methylamino)isoindole-2-carboxylic acid?
The canonical SMILES for 5-(methylamino)isoindole-2-carboxylic acid is CNc1ccc2cn(C(=O)O)cc2c1.
What is the InChIKey of 5-(methylamino)isoindole-2-carboxylic acid?
The InChIKey is JGZLHDWXZMWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-11-9-3-2-7-5-12(10(13)14)6-8(7)4-9/h2-6,11H,1H3,(H,13,14).
What are the key properties of 5-(methylamino)isoindole-2-carboxylic acid?
5-(methylamino)isoindole-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)isoindole-2-carboxylic acid is sourced from PubChem (CID 155164311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).