(2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

C12H14FNO2 — CID 7048406

IUPAC(2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(14)12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,15,16)/t11-/m1/s1
InChIKeyWYGYNDJPCNHNRS-LLVKDONJSA-N
MW223.25 g/mol
LogP1.87
Rot. Bonds3

About (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 7048406) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID7048406
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(14)12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,15,16)/t11-/m1/s1
InChIKeyWYGYNDJPCNHNRS-LLVKDONJSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid (CID 7048406) is (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1cccc(F)c1.
What is the InChIKey of (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WYGYNDJPCNHNRS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(14)12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7048406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).