methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate

C13H14FNO3 — CID 42127457

IUPACmethyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11-6-7-12(16)15(11)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyOXNJEFWRKBQCNN-LLVKDONJSA-N
MW251.26 g/mol
LogP1.49
Rot. Bonds3

About methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate

methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 42127457) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID42127457
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Namemethyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11-6-7-12(16)15(11)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyOXNJEFWRKBQCNN-LLVKDONJSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-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

L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-
CID 3042461
(S)-1-Benzyl-5-carboxy-2-pyrrolidinone
CID 10900113
1-(4-Fluorobenzyl)-5-oxoproline
CID 3327927
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
l-Proline, N-(4-fluorobenzoyl)-, methyl ester
CID 531399
L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-, methyl ester
CID 3042458
L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, methyl ester
CID 3042457
Methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
N-Benzyl-L-proline ethyl ester
CID 688177
1-[(4-Methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 4516602
N-Benzyl-D-proline ethyl ester
CID 688176
Ethyl 1-(3-fluorobenzoyl)-2-methylpyrrolidine-2-carboxylate
CID 46942996

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate (CID 42127457) is methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is OXNJEFWRKBQCNN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-18-13(17)11-6-7-12(16)15(11)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 42127457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).