1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid

C15H20N2O3 — CID 80566919

IUPAC1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CCN1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-15(19)14-11-12-3-1-2-4-13(12)17(14)6-5-16-7-9-20-10-8-16/h1-4,14H,5-11H2,(H,18,19)
InChIKeyDASYVAMPVHKQOV-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.83
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid

1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566919) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566919
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CCN1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-15(19)14-11-12-3-1-2-4-13(12)17(14)6-5-16-7-9-20-10-8-16/h1-4,14H,5-11H2,(H,18,19)
InChIKeyDASYVAMPVHKQOV-UHFFFAOYSA-N
XLogP0.83
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-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 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid (CID 80566919) is 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DASYVAMPVHKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(19)14-11-12-3-1-2-4-13(12)17(14)6-5-16-7-9-20-10-8-16/h1-4,14H,5-11H2,(H,18,19).
What are the key properties of 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid?
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).