2-(aminomethyl)-1-methylindole-5-carboxylic acid

C11H12N2O2 — CID 83832423

IUPAC2-(aminomethyl)-1-methylindole-5-carboxylic acid
SMILESCn1c(CN)cc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H12N2O2/c1-13-9(6-12)5-8-4-7(11(14)15)2-3-10(8)13/h2-5H,6,12H2,1H3,(H,14,15)
InChIKeyDVFYXUNGOBHUTF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.34
Rot. Bonds2

About 2-(aminomethyl)-1-methylindole-5-carboxylic acid

2-(aminomethyl)-1-methylindole-5-carboxylic acid (PubChem CID 83832423) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(aminomethyl)-1-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-1-methylindole-5-carboxylic acid
PubChem CID83832423
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(aminomethyl)-1-methylindole-5-carboxylic acid
SMILESCn1c(CN)cc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H12N2O2/c1-13-9(6-12)5-8-4-7(11(14)15)2-3-10(8)13/h2-5H,6,12H2,1H3,(H,14,15)
InChIKeyDVFYXUNGOBHUTF-UHFFFAOYSA-N
XLogP1.34
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1H-indole-5-carboxylate
CID 2737635
Carmoxirole
CID 57364
5-methyl-1H-indole-2-carboxylic acid
CID 259188
1H-Indole-5-Carboxylic Acid
CID 74280
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 459078
1H-Indole-2-carboxylic acid, 1-methyl-
CID 27695
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
3-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 2791194
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
Indocate
CID 65776
Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-
CID 213331
1-Phenyl-1H-Indole-2-Carboxylic Acid
CID 646116

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-methylindole-5-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-1-methylindole-5-carboxylic acid (CID 83832423) is 2-(aminomethyl)-1-methylindole-5-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-1-methylindole-5-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-1-methylindole-5-carboxylic acid is Cn1c(CN)cc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(aminomethyl)-1-methylindole-5-carboxylic acid?
The InChIKey is DVFYXUNGOBHUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-9(6-12)5-8-4-7(11(14)15)2-3-10(8)13/h2-5H,6,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-1-methylindole-5-carboxylic acid?
2-(aminomethyl)-1-methylindole-5-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-methylindole-5-carboxylic acid is sourced from PubChem (CID 83832423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).