3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid

C13H16N2O2 — CID 83946549

IUPAC3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2[nH]cc(CCN)c2c1
InChIInChI=1S/C13H16N2O2/c1-2-8-5-10-9(3-4-14)7-15-12(10)11(6-8)13(16)17/h5-7,15H,2-4,14H2,1H3,(H,16,17)
InChIKeyTZJPXKUNMHQPQD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds4

About 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid

3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid (PubChem CID 83946549) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
PubChem CID83946549
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2[nH]cc(CCN)c2c1
InChIInChI=1S/C13H16N2O2/c1-2-8-5-10-9(3-4-14)7-15-12(10)11(6-8)13(16)17/h5-7,15H,2-4,14H2,1H3,(H,16,17)
InChIKeyTZJPXKUNMHQPQD-UHFFFAOYSA-N
XLogP1.93
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid (CID 83946549) is 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid is CCc1cc(C(=O)O)c2[nH]cc(CCN)c2c1.
What is the InChIKey of 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid?
The InChIKey is TZJPXKUNMHQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-8-5-10-9(3-4-14)7-15-12(10)11(6-8)13(16)17/h5-7,15H,2-4,14H2,1H3,(H,16,17).
What are the key properties of 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid?
3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 83946549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).