(3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid

C12H14FNO2 — CID 28875750

IUPAC(3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-2-9(6-11)7-14-5-4-10(8-14)12(15)16/h1-3,6,10H,4-5,7-8H2,(H,15,16)/t10-/m1/s1
InChIKeyUWKBXDCMKAXKNE-SNVBAGLBSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds3

About (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 28875750) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID28875750
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-2-9(6-11)7-14-5-4-10(8-14)12(15)16/h1-3,6,10H,4-5,7-8H2,(H,15,16)/t10-/m1/s1
InChIKeyUWKBXDCMKAXKNE-SNVBAGLBSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid (CID 28875750) is (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(Cc2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UWKBXDCMKAXKNE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-3-1-2-9(6-11)7-14-5-4-10(8-14)12(15)16/h1-3,6,10H,4-5,7-8H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 28875750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).