3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid

C15H17FN2O5 — CID 120529740

IUPAC3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccnc(OC2CCOC2)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H17FN2O5/c16-15(14(20)21)3-5-18(9-15)13(19)10-1-4-17-12(7-10)23-11-2-6-22-8-11/h1,4,7,11H,2-3,5-6,8-9H2,(H,20,21)
InChIKeyOXPPWERXTRXBBM-UHFFFAOYSA-N
MW324.31 g/mol
LogP0.89
Rot. Bonds4

About 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120529740) has the molecular formula C15H17FN2O5 and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120529740
Molecular FormulaC15H17FN2O5
Molecular Weight324.31 g/mol
Exact Mass324.11
IUPAC Name3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccnc(OC2CCOC2)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H17FN2O5/c16-15(14(20)21)3-5-18(9-15)13(19)10-1-4-17-12(7-10)23-11-2-6-22-8-11/h1,4,7,11H,2-3,5-6,8-9H2,(H,20,21)
InChIKeyOXPPWERXTRXBBM-UHFFFAOYSA-N
XLogP0.89
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid 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

2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535137
[2-(oxolan-3-yloxy)-4-pyridinyl]-(3-phenylmorpholin-4-yl)methanone
CID 127840607
1-(2-cyclobutyloxypyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120529143
(3aS,7aS)-2-(2-cyclobutyloxypyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628846
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 99854488
(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 124617683
1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528150
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 120529740) is 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid is O=C(c1ccnc(OC2CCOC2)c1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OXPPWERXTRXBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5/c16-15(14(20)21)3-5-18(9-15)13(19)10-1-4-17-12(7-10)23-11-2-6-22-8-11/h1,4,7,11H,2-3,5-6,8-9H2,(H,20,21).
What are the key properties of 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 324.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).