1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid

C14H16N2O3 — CID 80566263

IUPAC1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C14H16N2O3/c17-13(16-6-5-9(8-16)14(18)19)11-7-15-12-4-2-1-3-10(11)12/h1-4,9,11,15H,5-8H2,(H,18,19)
InChIKeyFXXNRDKGOFMNDU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.13
Rot. Bonds2

About 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 80566263) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID80566263
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C14H16N2O3/c17-13(16-6-5-9(8-16)14(18)19)11-7-15-12-4-2-1-3-10(11)12/h1-4,9,11,15H,5-8H2,(H,18,19)
InChIKeyFXXNRDKGOFMNDU-UHFFFAOYSA-N
XLogP1.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 80563359
2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 80566178
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80564449
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 80566263) is 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2CNc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FXXNRDKGOFMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(16-6-5-9(8-16)14(18)19)11-7-15-12-4-2-1-3-10(11)12/h1-4,9,11,15H,5-8H2,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 80566263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).