methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate

C19H19F2NO3 — CID 59596704

IUPACmethyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2F)N1
InChIInChI=1S/C19H19F2NO3/c1-24-19(23)18-9-8-17(22-18)14-7-6-13(10-16(14)21)25-11-12-4-2-3-5-15(12)20/h2-7,10,17-18,22H,8-9,11H2,1H3/t17-,18+/m1/s1
InChIKeyXITQQZBSAZMBGY-MSOLQXFVSA-N
MW347.36 g/mol
LogP3.51
Rot. Bonds5

About methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate

methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate (PubChem CID 59596704) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate
PubChem CID59596704
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Namemethyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2F)N1
InChIInChI=1S/C19H19F2NO3/c1-24-19(23)18-9-8-17(22-18)14-7-6-13(10-16(14)21)25-11-12-4-2-3-5-15(12)20/h2-7,10,17-18,22H,8-9,11H2,1H3/t17-,18+/m1/s1
InChIKeyXITQQZBSAZMBGY-MSOLQXFVSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]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

(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
Vixotrigine Hydrochloride
CID 16046067
[5-(4-Benzyl-phenoxy)-pentylamino]-acetic acid ethyl ester
CID 11089570
Mao-B-IN-5
CID 11324918
Methyl 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 18678296
(S)-1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-2-carboxylic acid methyl ester
CID 44342007
Mao-B-IN-6
CID 139480631
(2S,4S)-4-fluoro-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 139480632
(2S,4R)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 139480920
(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrrolidine-2-carboxamide
CID 152126422
(2S)-N-[(1R)-1-[2-fluoro-4-[(2S)-2-methylbutoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
CID 118730009
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylbutanoyl]amino]acetate
CID 134129964

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate (CID 59596704) is methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2F)N1.
What is the InChIKey of methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
The InChIKey is XITQQZBSAZMBGY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-24-19(23)18-9-8-17(22-18)14-7-6-13(10-16(14)21)25-11-12-4-2-3-5-15(12)20/h2-7,10,17-18,22H,8-9,11H2,1H3/t17-,18+/m1/s1.
What are the key properties of methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate has a molecular weight of 347.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59596704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).