1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid

C11H12FNO2 — CID 71076496

IUPAC1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2F)C1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyVTLGIJLOAQEHFV-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.74
Rot. Bonds2

About 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid

1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 71076496) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID71076496
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2F)C1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyVTLGIJLOAQEHFV-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-[3,5-Bis(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 168277859
1-(3,4-Difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2969325

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 71076496) is 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VTLGIJLOAQEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-2-4-10(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-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
1-(2-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-(2-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 71076496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).