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

C14H19FN2O3 — CID 83128317

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

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

4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 83128317) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID83128317
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1ccc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-17(13-8-20-7-11(13)14(18)19)9(2)12-5-4-10(15)6-16-12/h4-6,9,11,13H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyOBNISNBLKLEMSN-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

Analyze 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-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

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid (CID 83128317) is 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid is CCN(C(C)c1ccc(F)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OBNISNBLKLEMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-17(13-8-20-7-11(13)14(18)19)9(2)12-5-4-10(15)6-16-12/h4-6,9,11,13H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]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-[ethyl-[1-(5-fluoro-2-pyridinyl)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83128317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).