3-(2-aminoethyl)-1H-indole-5-carboxylic acid

C11H12N2O2 — CID 19605739

IUPAC3-(2-aminoethyl)-1H-indole-5-carboxylic acid
SMILESNCCc1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C11H12N2O2/c12-4-3-8-6-13-10-2-1-7(11(14)15)5-9(8)10/h1-2,5-6,13H,3-4,12H2,(H,14,15)
InChIKeyCDWFDLYRKQOGNR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

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

3-(2-aminoethyl)-1H-indole-5-carboxylic acid (PubChem CID 19605739) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-5-carboxylic acid
PubChem CID19605739
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-aminoethyl)-1H-indole-5-carboxylic acid
SMILESNCCc1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C11H12N2O2/c12-4-3-8-6-13-10-2-1-7(11(14)15)5-9(8)10/h1-2,5-6,13H,3-4,12H2,(H,14,15)
InChIKeyCDWFDLYRKQOGNR-UHFFFAOYSA-N
XLogP1.37
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminoethyl)-1H-indole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carboxylic acid (CID 19605739) is 3-(2-aminoethyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-5-carboxylic acid is NCCc1c[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-5-carboxylic acid?
The InChIKey is CDWFDLYRKQOGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-4-3-8-6-13-10-2-1-7(11(14)15)5-9(8)10/h1-2,5-6,13H,3-4,12H2,(H,14,15).
What are the key properties of 3-(2-aminoethyl)-1H-indole-5-carboxylic acid?
3-(2-aminoethyl)-1H-indole-5-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 19605739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).