(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C12H14FNO3 — CID 155019919

IUPAC(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CNC[C@@]2(F)C(=O)O)cc1
InChIInChI=1S/C12H14FNO3/c1-17-9-4-2-8(3-5-9)10-6-14-7-12(10,13)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyQWRMUKLPNDEYGV-KFJBMODSSA-N
MW239.25 g/mol
LogP1.17
Rot. Bonds3

About (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 155019919) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID155019919
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CNC[C@@]2(F)C(=O)O)cc1
InChIInChI=1S/C12H14FNO3/c1-17-9-4-2-8(3-5-9)10-6-14-7-12(10,13)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyQWRMUKLPNDEYGV-KFJBMODSSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 155019919) is (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(C2CNC[C@@]2(F)C(=O)O)cc1.
What is the InChIKey of (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QWRMUKLPNDEYGV-KFJBMODSSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-17-9-4-2-8(3-5-9)10-6-14-7-12(10,13)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,15,16)/t10?,12-/m0/s1.
What are the key properties of (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155019919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).