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

C13H16N2O2 — CID 84795452

IUPAC3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(N2CCc3ccccc32)CCNC1
InChIInChI=1S/C13H16N2O2/c16-12(17)13(6-7-14-9-13)15-8-5-10-3-1-2-4-11(10)15/h1-4,14H,5-9H2,(H,16,17)
InChIKeyWHQGSQDUZRUONV-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.87
Rot. Bonds2

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

3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 84795452) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID84795452
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(N2CCc3ccccc32)CCNC1
InChIInChI=1S/C13H16N2O2/c16-12(17)13(6-7-14-9-13)15-8-5-10-3-1-2-4-11(10)15/h1-4,14H,5-9H2,(H,16,17)
InChIKeyWHQGSQDUZRUONV-UHFFFAOYSA-N
XLogP0.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
CID 84795983
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54895169
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
2-(1,4-diazepan-1-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60993813
3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol
CID 22038400
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63141049
2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
CID 60993812
3,4-dihydro-2H-quinolin-1-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl)methanone
CID 91338834
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930477
1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597842

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid (CID 84795452) is 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1(N2CCc3ccccc32)CCNC1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is WHQGSQDUZRUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(17)13(6-7-14-9-13)15-8-5-10-3-1-2-4-11(10)15/h1-4,14H,5-9H2,(H,16,17).
What are the key properties of 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid?
3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 84795452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).