5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid

C11H12N2O2 — CID 22311786

IUPAC5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CN)cc2c1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-6-10(11(14)15)8-4-7(5-12)2-3-9(8)13-6/h2-4,13H,5,12H2,1H3,(H,14,15)
InChIKeyYHTGKSQUYVEFOM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.63
Rot. Bonds2

About 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid

5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 22311786) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
PubChem CID22311786
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CN)cc2c1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-6-10(11(14)15)8-4-7(5-12)2-3-9(8)13-6/h2-4,13H,5,12H2,1H3,(H,14,15)
InChIKeyYHTGKSQUYVEFOM-UHFFFAOYSA-N
XLogP1.63
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid (CID 22311786) is 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2ccc(CN)cc2c1C(=O)O.
What is the InChIKey of 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is YHTGKSQUYVEFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-10(11(14)15)8-4-7(5-12)2-3-9(8)13-6/h2-4,13H,5,12H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid?
5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 22311786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).