1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

C17H19F2NO3 — CID 120533926

IUPAC1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCCC2)C1
InChIInChI=1S/C17H19F2NO3/c18-12-3-4-13(14(19)9-12)17(6-1-2-7-17)16(23)20-8-5-11(10-20)15(21)22/h3-4,9,11H,1-2,5-8,10H2,(H,21,22)
InChIKeyXDICYIDYEJIUPD-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.71
Rot. Bonds3

About 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120533926) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120533926
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCCC2)C1
InChIInChI=1S/C17H19F2NO3/c18-12-3-4-13(14(19)9-12)17(6-1-2-7-17)16(23)20-8-5-11(10-20)15(21)22/h3-4,9,11H,1-2,5-8,10H2,(H,21,22)
InChIKeyXDICYIDYEJIUPD-UHFFFAOYSA-N
XLogP2.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
CID 154737138
[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995939
(3R,4R)-4-cyclopropyl-1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120977966
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
1-[2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534326
1-[2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525600
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529406
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (CID 120533926) is 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCCC2)C1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XDICYIDYEJIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c18-12-3-4-13(14(19)9-12)17(6-1-2-7-17)16(23)20-8-5-11(10-20)15(21)22/h3-4,9,11H,1-2,5-8,10H2,(H,21,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 323.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120533926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).