1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid

C16H20N2O3 — CID 119904122

IUPAC1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C16H20N2O3/c19-15(7-9-17-8-5-13(11-17)16(20)21)18-10-6-12-3-1-2-4-14(12)18/h1-4,13H,5-11H2,(H,20,21)
InChIKeyHPDJXYLGOZOSCA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds4

About 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid

1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid (PubChem CID 119904122) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
PubChem CID119904122
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C16H20N2O3/c19-15(7-9-17-8-5-13(11-17)16(20)21)18-10-6-12-3-1-2-4-14(12)18/h1-4,13H,5-11H2,(H,20,21)
InChIKeyHPDJXYLGOZOSCA-UHFFFAOYSA-N
XLogP1.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110020014
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
1-(2,3-dihydroindol-1-yl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 110888130
1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 95610917
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid (CID 119904122) is 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CCC(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HPDJXYLGOZOSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(7-9-17-8-5-13(11-17)16(20)21)18-10-6-12-3-1-2-4-14(12)18/h1-4,13H,5-11H2,(H,20,21).
What are the key properties of 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid?
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119904122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).