5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid

C14H15FN2O2 — CID 117410022

IUPAC5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCn1ccc2cc(F)c(C3CC(C(=O)O)CN3)cc21
InChIInChI=1S/C14H15FN2O2/c1-17-3-2-8-4-11(15)10(6-13(8)17)12-5-9(7-16-12)14(18)19/h2-4,6,9,12,16H,5,7H2,1H3,(H,18,19)
InChIKeyUEILQWLWNYDGBL-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.05
Rot. Bonds2

About 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid

5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117410022) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117410022
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCn1ccc2cc(F)c(C3CC(C(=O)O)CN3)cc21
InChIInChI=1S/C14H15FN2O2/c1-17-3-2-8-4-11(15)10(6-13(8)17)12-5-9(7-16-12)14(18)19/h2-4,6,9,12,16H,5,7H2,1H3,(H,18,19)
InChIKeyUEILQWLWNYDGBL-UHFFFAOYSA-N
XLogP2.05
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid (CID 117410022) is 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid is Cn1ccc2cc(F)c(C3CC(C(=O)O)CN3)cc21.
What is the InChIKey of 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is UEILQWLWNYDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-17-3-2-8-4-11(15)10(6-13(8)17)12-5-9(7-16-12)14(18)19/h2-4,6,9,12,16H,5,7H2,1H3,(H,18,19).
What are the key properties of 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid?
5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-methylindol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117410022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).