2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid

C14H13FN2O3 — CID 175554398

IUPAC2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(c1c[nH]c2c(F)cccc12)C1CCCN1C(=O)O
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-3-8-9(7-16-12(8)10)13(18)11-5-2-6-17(11)14(19)20/h1,3-4,7,11,16H,2,5-6H2,(H,19,20)
InChIKeyQPRPITKXIKDDDJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.63
Rot. Bonds2

About 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid

2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 175554398) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
PubChem CID175554398
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(c1c[nH]c2c(F)cccc12)C1CCCN1C(=O)O
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-3-8-9(7-16-12(8)10)13(18)11-5-2-6-17(11)14(19)20/h1,3-4,7,11,16H,2,5-6H2,(H,19,20)
InChIKeyQPRPITKXIKDDDJ-UHFFFAOYSA-N
XLogP2.63
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid (CID 175554398) is 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid is O=C(c1c[nH]c2c(F)cccc12)C1CCCN1C(=O)O.
What is the InChIKey of 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is QPRPITKXIKDDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-4-1-3-8-9(7-16-12(8)10)13(18)11-5-2-6-17(11)14(19)20/h1,3-4,7,11,16H,2,5-6H2,(H,19,20).
What are the key properties of 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175554398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).