(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid

C11H12FNO3 — CID 54587697

IUPAC(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyGGGRLSPXJRIWKZ-UWVGGRQHSA-N
MW225.22 g/mol
LogP1.02
Rot. Bonds3

About (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid (PubChem CID 54587697) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
PubChem CID54587697
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyGGGRLSPXJRIWKZ-UWVGGRQHSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid (CID 54587697) is (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](Oc2cccc(F)c2)CN1.
What is the InChIKey of (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is GGGRLSPXJRIWKZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54587697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).