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

C14H18N2O3 — CID 80565332

IUPAC1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCN(C)C(=O)CCN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-15(2)13(17)7-8-16-9-11(14(18)19)10-5-3-4-6-12(10)16/h3-6,11H,7-9H2,1-2H3,(H,18,19)
InChIKeyCMKBQLNGCOTSQH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.15
Rot. Bonds4

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

1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565332) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565332
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCN(C)C(=O)CCN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-15(2)13(17)7-8-16-9-11(14(18)19)10-5-3-4-6-12(10)16/h3-6,11H,7-9H2,1-2H3,(H,18,19)
InChIKeyCMKBQLNGCOTSQH-UHFFFAOYSA-N
XLogP1.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757
2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80578399
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
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-[(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-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 115982221

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid (CID 80565332) is 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid is CN(C)C(=O)CCN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is CMKBQLNGCOTSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(2)13(17)7-8-16-9-11(14(18)19)10-5-3-4-6-12(10)16/h3-6,11H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid?
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).