3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

C16H17F2NO3 — CID 119259632

IUPAC3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1
InChIInChI=1S/C16H17F2NO3/c17-12-4-1-3-11(9-12)15(5-2-6-15)13(20)19-8-7-16(18,10-19)14(21)22/h1,3-4,9H,2,5-8,10H2,(H,21,22)
InChIKeyPQPUEWCAVWGGDM-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.27
Rot. Bonds3

About 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119259632) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119259632
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1
InChIInChI=1S/C16H17F2NO3/c17-12-4-1-3-11(9-12)15(5-2-6-15)13(20)19-8-7-16(18,10-19)14(21)22/h1,3-4,9H,2,5-8,10H2,(H,21,22)
InChIKeyPQPUEWCAVWGGDM-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 122108064
1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258301
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125016171
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 120659893
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119259491

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (CID 119259632) is 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1(F)CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1.
What is the InChIKey of 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PQPUEWCAVWGGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c17-12-4-1-3-11(9-12)15(5-2-6-15)13(20)19-8-7-16(18,10-19)14(21)22/h1,3-4,9H,2,5-8,10H2,(H,21,22).
What are the key properties of 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 309.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).