1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C15H17FN2O3 — CID 103500021

IUPAC1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCc3ccc(F)cc32)C1C(=O)O
InChIInChI=1S/C15H17FN2O3/c1-9-4-6-18(13(9)14(19)20)15(21)17-7-5-10-2-3-11(16)8-12(10)17/h2-3,8-9,13H,4-7H2,1H3,(H,19,20)
InChIKeyWSXNLAZXBLKHBM-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.10
Rot. Bonds1

About 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 103500021) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID103500021
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCc3ccc(F)cc32)C1C(=O)O
InChIInChI=1S/C15H17FN2O3/c1-9-4-6-18(13(9)14(19)20)15(21)17-7-5-10-2-3-11(16)8-12(10)17/h2-3,8-9,13H,4-7H2,1H3,(H,19,20)
InChIKeyWSXNLAZXBLKHBM-UHFFFAOYSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 103500021) is 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N2CCc3ccc(F)cc32)C1C(=O)O.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is WSXNLAZXBLKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9-4-6-18(13(9)14(19)20)15(21)17-7-5-10-2-3-11(16)8-12(10)17/h2-3,8-9,13H,4-7H2,1H3,(H,19,20).
What are the key properties of 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103500021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).