ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate

C13H16N2O2 — CID 11064294

IUPACethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1CCN
InChIInChI=1S/C13H16N2O2/c1-2-17-13(16)12-10(7-8-14)9-5-3-4-6-11(9)15-12/h3-6,15H,2,7-8,14H2,1H3
InChIKeyGJJYQBVSOPSDHC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.85
Rot. Bonds4

About ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate

ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate (PubChem CID 11064294) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate
PubChem CID11064294
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1CCN
InChIInChI=1S/C13H16N2O2/c1-2-17-13(16)12-10(7-8-14)9-5-3-4-6-11(9)15-12/h3-6,15H,2,7-8,14H2,1H3
InChIKeyGJJYQBVSOPSDHC-UHFFFAOYSA-N
XLogP1.85
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate (CID 11064294) is ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1CCN.
What is the InChIKey of ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate?
The InChIKey is GJJYQBVSOPSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-17-13(16)12-10(7-8-14)9-5-3-4-6-11(9)15-12/h3-6,15H,2,7-8,14H2,1H3.
What are the key properties of ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate?
ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 11064294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).