3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid

C14H15F2NO3 — CID 119259491

IUPAC3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C14H15F2NO3/c1-9(10-3-2-4-11(15)7-10)12(18)17-6-5-14(16,8-17)13(19)20/h2-4,7,9H,5-6,8H2,1H3,(H,19,20)
InChIKeyGYEITIYNZXZYOD-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.95
Rot. Bonds3

About 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119259491) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119259491
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C14H15F2NO3/c1-9(10-3-2-4-11(15)7-10)12(18)17-6-5-14(16,8-17)13(19)20/h2-4,7,9H,5-6,8H2,1H3,(H,19,20)
InChIKeyGYEITIYNZXZYOD-UHFFFAOYSA-N
XLogP1.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120529678
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259294
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561844
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119259632
3-fluoro-1-[2-[(3-fluorobenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120529785
3-fluoro-1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119258373
3-fluoro-1-(2-phenyl-2-phenylsulfanylacetyl)pyrrolidine-3-carboxylic acid
CID 119258661
(3S,4S)-1-[2-(3-fluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953267
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
1-[2-(2-chlorophenyl)sulfanylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258110
3-fluoro-1-[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]pyrrolidine-3-carboxylic acid
CID 119258876

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid (CID 119259491) is 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid is CC(C(=O)N1CCC(F)(C(=O)O)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GYEITIYNZXZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-9(10-3-2-4-11(15)7-10)12(18)17-6-5-14(16,8-17)13(19)20/h2-4,7,9H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).