1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

C11H12FNO2 — CID 51063835

IUPAC1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyYJGOVCVVOBKAOW-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.74
Rot. Bonds2

About 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 51063835) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID51063835
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyYJGOVCVVOBKAOW-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2912652
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911491
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741827
1-(2-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911975
2-Oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 3043762
5-Oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 2737107
Methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 2883829
1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
CID 2985727
3-[N-(2-carboxyethyl)anilino]propanoic acid
CID 658627
1-Phenylpyrrolidine-3-carboxylic acid
CID 51063832
1-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid
CID 71076496
1-[3,5-Bis(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 168277859

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 51063835) is 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YJGOVCVVOBKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51063835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).