2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate

C19H19FN2O3 — CID 71988037

IUPAC2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCCc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccccn1
InChIInChI=1S/C19H19FN2O3/c20-15-7-2-1-6-14(15)10-13-25-19(24)17-9-5-12-22(17)18(23)16-8-3-4-11-21-16/h1-4,6-8,11,17H,5,9-10,12-13H2/t17-/m0/s1
InChIKeyYLAYFCZWEWYDTQ-KRWDZBQOSA-N
MW342.37 g/mol
LogP2.61
Rot. Bonds5

About 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate

2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 71988037) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID71988037
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCCc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccccn1
InChIInChI=1S/C19H19FN2O3/c20-15-7-2-1-6-14(15)10-13-25-19(24)17-9-5-12-22(17)18(23)16-8-3-4-11-21-16/h1-4,6-8,11,17H,5,9-10,12-13H2/t17-/m0/s1
InChIKeyYLAYFCZWEWYDTQ-KRWDZBQOSA-N
XLogP2.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)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

1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000
propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711961
2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 78760973
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2R)-N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-2-carbonyl)piperidine-2-carboxamide
CID 26323406
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 95784052
[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026997
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 9491805
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26392890
[(3S,3aS,7aR)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-pyridin-2-ylmethanone
CID 53378287

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate (CID 71988037) is 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate is O=C(OCCc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccccn1.
What is the InChIKey of 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is YLAYFCZWEWYDTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-7-2-1-6-14(15)10-13-25-19(24)17-9-5-12-22(17)18(23)16-8-3-4-11-21-16/h1-4,6-8,11,17H,5,9-10,12-13H2/t17-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 71988037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).