(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H12FNO3 — CID 54241586

IUPAC(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)(c2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-2-7(4-8)11(16)5-9(10(14)15)13-6-11/h1-4,9,13,16H,5-6H2,(H,14,15)/t9-,11?/m0/s1
InChIKeyQQJPWOMILCFVRL-FTNKSUMCSA-N
MW225.22 g/mol
LogP0.46
Rot. Bonds2

About (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 54241586) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID54241586
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)(c2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-2-7(4-8)11(16)5-9(10(14)15)13-6-11/h1-4,9,13,16H,5-6H2,(H,14,15)/t9-,11?/m0/s1
InChIKeyQQJPWOMILCFVRL-FTNKSUMCSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 54241586) is (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)(c2cccc(F)c2)CN1.
What is the InChIKey of (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QQJPWOMILCFVRL-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-3-1-2-7(4-8)11(16)5-9(10(14)15)13-6-11/h1-4,9,13,16H,5-6H2,(H,14,15)/t9-,11?/m0/s1.
What are the key properties of (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54241586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).