(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid

C12H14FNO2 — CID 124675442

IUPAC(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1C[C@H](C(=O)O)[C@@H](c2ccccc2F)C1
InChIInChI=1S/C12H14FNO2/c1-14-6-9(10(7-14)12(15)16)8-4-2-3-5-11(8)13/h2-5,9-10H,6-7H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyFXTYOZCCTHLMNV-ZJUUUORDSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds2

About (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid

(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 124675442) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID124675442
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1C[C@H](C(=O)O)[C@@H](c2ccccc2F)C1
InChIInChI=1S/C12H14FNO2/c1-14-6-9(10(7-14)12(15)16)8-4-2-3-5-11(8)13/h2-5,9-10H,6-7H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyFXTYOZCCTHLMNV-ZJUUUORDSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-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

Related Compounds

4-(2-fluorophenyl)pyrrolidine-1,3-dicarboxylic acid
CID 166790516
[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987229
4-(3,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 134162457
(3S,4S)-4-(2,4-dichlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675449
1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 82395989
5-(2-fluorophenyl)-1,1-dioxothiepane-4-carboxylic acid
CID 84813811
[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol
CID 57377167
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579
2-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77185254
5-(2-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345777
(3S,4R)-4-(4-aminophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99986899
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134162476

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid (CID 124675442) is (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid is CN1C[C@H](C(=O)O)[C@@H](c2ccccc2F)C1.
What is the InChIKey of (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FXTYOZCCTHLMNV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-6-9(10(7-14)12(15)16)8-4-2-3-5-11(8)13/h2-5,9-10H,6-7H2,1H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid?
(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124675442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).