4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid

C14H19FN2O3 — CID 115941713

IUPAC4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-12(11-5-4-9(15)6-16-11)17(2)13-8-20-7-10(13)14(18)19/h4-6,10,12-13H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyZVMCXGAZUMATQF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.70
Rot. Bonds5

About 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid

4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 115941713) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid
PubChem CID115941713
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-12(11-5-4-9(15)6-16-11)17(2)13-8-20-7-10(13)14(18)19/h4-6,10,12-13H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyZVMCXGAZUMATQF-UHFFFAOYSA-N
XLogP1.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid (CID 115941713) is 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid is CCC(c1ccc(F)cn1)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is ZVMCXGAZUMATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-12(11-5-4-9(15)6-16-11)17(2)13-8-20-7-10(13)14(18)19/h4-6,10,12-13H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid?
4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 282.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-pyridinyl)propyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115941713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).