1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid

C14H18N2O3 — CID 3060301

IUPAC1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid
SMILESCOc1c(C(=O)O)n(CCN(C)C)c2ccccc12
InChIInChI=1S/C14H18N2O3/c1-15(2)8-9-16-11-7-5-4-6-10(11)13(19-3)12(16)14(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyAGPTZZYMNXMEEJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid

1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid (PubChem CID 3060301) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid
PubChem CID3060301
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid
SMILESCOc1c(C(=O)O)n(CCN(C)C)c2ccccc12
InChIInChI=1S/C14H18N2O3/c1-15(2)8-9-16-11-7-5-4-6-10(11)13(19-3)12(16)14(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyAGPTZZYMNXMEEJ-UHFFFAOYSA-N
XLogP1.91
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-3-methoxyindole-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-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid (CID 3060301) is 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid is COc1c(C(=O)O)n(CCN(C)C)c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid?
The InChIKey is AGPTZZYMNXMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(2)8-9-16-11-7-5-4-6-10(11)13(19-3)12(16)14(17)18/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid?
1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid is sourced from PubChem (CID 3060301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).