1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid

C15H17F2NO2 — CID 69324750

IUPAC1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCC2)C1c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO2/c16-12-6-2-5-10(13(12)17)14-11(15(19)20)7-8-18(14)9-3-1-4-9/h2,5-6,9,11,14H,1,3-4,7-8H2,(H,19,20)
InChIKeyMZJURXOUAIFUJY-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.96
Rot. Bonds3

About 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid

1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 69324750) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID69324750
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCC2)C1c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO2/c16-12-6-2-5-10(13(12)17)14-11(15(19)20)7-8-18(14)9-3-1-4-9/h2,5-6,9,11,14H,1,3-4,7-8H2,(H,19,20)
InChIKeyMZJURXOUAIFUJY-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid (CID 69324750) is 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C2CCC2)C1c1cccc(F)c1F.
What is the InChIKey of 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MZJURXOUAIFUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-12-6-2-5-10(13(12)17)14-11(15(19)20)7-8-18(14)9-3-1-4-9/h2,5-6,9,11,14H,1,3-4,7-8H2,(H,19,20).
What are the key properties of 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 281.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 69324750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).