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

C13H18N2O2 — CID 80565757

IUPAC1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCN(C)CCN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-14(2)7-8-15-9-11(13(16)17)10-5-3-4-6-12(10)15/h3-6,11H,7-9H2,1-2H3,(H,16,17)
InChIKeyJKJDZGPBVKEHSL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds4

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

1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565757) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565757
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCN(C)CCN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-14(2)7-8-15-9-11(13(16)17)10-5-3-4-6-12(10)15/h3-6,11H,7-9H2,1-2H3,(H,16,17)
InChIKeyJKJDZGPBVKEHSL-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784
1-(4-cyanobutyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565678
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566268
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
1-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 116616831
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
1-[(E)-3-phenylprop-2-enyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563415
1-[(4-iodophenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565810
1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563640
1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 115982221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid (CID 80565757) is 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid is CN(C)CCN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is JKJDZGPBVKEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)7-8-15-9-11(13(16)17)10-5-3-4-6-12(10)15/h3-6,11H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).