methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate

C14H19FN2O3 — CID 146550167

IUPACmethyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate
SMILESCOCCN1CC(C(=O)OC)C(c2cncc(F)c2)C1
InChIInChI=1S/C14H19FN2O3/c1-19-4-3-17-8-12(13(9-17)14(18)20-2)10-5-11(15)7-16-6-10/h5-7,12-13H,3-4,8-9H2,1-2H3
InChIKeyHXUWSTPHYGZALH-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.06
Rot. Bonds5

About methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate

methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate (PubChem CID 146550167) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate
PubChem CID146550167
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Namemethyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate
SMILESCOCCN1CC(C(=O)OC)C(c2cncc(F)c2)C1
InChIInChI=1S/C14H19FN2O3/c1-19-4-3-17-8-12(13(9-17)14(18)20-2)10-5-11(15)7-16-6-10/h5-7,12-13H,3-4,8-9H2,1-2H3
InChIKeyHXUWSTPHYGZALH-UHFFFAOYSA-N
XLogP1.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-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

[(3R,4S)-4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 142747373
N-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
CID 126731076
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 102568183
methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 115694818
tert-butyl N-[(4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]carbamate
CID 146300570
1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 89188642
methyl (3S,4R)-1-benzyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate
CID 59131001
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 71041197
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290
(3S,4R)-1-(2-methoxyethyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70736731
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate (CID 146550167) is methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate is COCCN1CC(C(=O)OC)C(c2cncc(F)c2)C1.
What is the InChIKey of methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate?
The InChIKey is HXUWSTPHYGZALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-4-3-17-8-12(13(9-17)14(18)20-2)10-5-11(15)7-16-6-10/h5-7,12-13H,3-4,8-9H2,1-2H3.
What are the key properties of methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate?
methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 146550167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).