methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate

C12H14FNO2 — CID 7200386

IUPACmethyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1NCC[C@@H]1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-16-12(15)11-9(6-7-14-11)8-4-2-3-5-10(8)13/h2-5,9,11,14H,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyWCXQPHBYMJBYCZ-KOLCDFICSA-N
MW223.25 g/mol
LogP1.44
Rot. Bonds2

About methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate

methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate (PubChem CID 7200386) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
PubChem CID7200386
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namemethyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1NCC[C@@H]1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-16-12(15)11-9(6-7-14-11)8-4-2-3-5-10(8)13/h2-5,9,11,14H,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyWCXQPHBYMJBYCZ-KOLCDFICSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate 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

methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
(2S)-2-[[3-(2-fluorophenyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 135362371
methyl 2-(2-fluorophenyl)piperidine-4-carboxylate
CID 105498960
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
CID 54509998
1-[(2S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 66694301
1-[(2S,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 90396352
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate
CID 96581577
3-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 79337694
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate (CID 7200386) is methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1NCC[C@@H]1c1ccccc1F.
What is the InChIKey of methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate?
The InChIKey is WCXQPHBYMJBYCZ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-12(15)11-9(6-7-14-11)8-4-2-3-5-10(8)13/h2-5,9,11,14H,6-7H2,1H3/t9-,11+/m1/s1.
What are the key properties of methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate?
methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 7200386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).