3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

C11H12FNO3 — CID 115034865

IUPAC3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2cccc(O)c2)C1
InChIInChI=1S/C11H12FNO3/c12-11(10(15)16)4-5-13(7-11)8-2-1-3-9(14)6-8/h1-3,6,14H,4-5,7H2,(H,15,16)
InChIKeyNRAYFIOCIWORTR-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.40
Rot. Bonds2

About 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 115034865) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID115034865
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2cccc(O)c2)C1
InChIInChI=1S/C11H12FNO3/c12-11(10(15)16)4-5-13(7-11)8-2-1-3-9(14)6-8/h1-3,6,14H,4-5,7H2,(H,15,16)
InChIKeyNRAYFIOCIWORTR-UHFFFAOYSA-N
XLogP1.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid (CID 115034865) is 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(F)CCN(c2cccc(O)c2)C1.
What is the InChIKey of 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NRAYFIOCIWORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-11(10(15)16)4-5-13(7-11)8-2-1-3-9(14)6-8/h1-3,6,14H,4-5,7H2,(H,15,16).
What are the key properties of 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115034865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).