4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid

C15H21FN2O3 — CID 83110376

IUPAC4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1ccc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-3-6-18(14-9-21-8-12(14)15(19)20)10(2)13-5-4-11(16)7-17-13/h4-5,7,10,12,14H,3,6,8-9H2,1-2H3,(H,19,20)
InChIKeySLZFZCKJIXZVNK-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.09
Rot. Bonds6

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

4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid (PubChem CID 83110376) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid
PubChem CID83110376
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1ccc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-3-6-18(14-9-21-8-12(14)15(19)20)10(2)13-5-4-11(16)7-17-13/h4-5,7,10,12,14H,3,6,8-9H2,1-2H3,(H,19,20)
InChIKeySLZFZCKJIXZVNK-UHFFFAOYSA-N
XLogP2.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.09
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)ethyl-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid (CID 83110376) is 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid is CCCN(C(C)c1ccc(F)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid?
The InChIKey is SLZFZCKJIXZVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-6-18(14-9-21-8-12(14)15(19)20)10(2)13-5-4-11(16)7-17-13/h4-5,7,10,12,14H,3,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid?
4-[1-(5-fluoro-2-pyridinyl)ethyl-propylamino]oxolane-3-carboxylic acid has a molecular weight of 296.34 g/mol, XLogP of 2.09, 6 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)ethyl-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83110376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).