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

C15H21FN2O3 — CID 115941714

IUPAC4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-3-13(12-6-5-10(16)7-17-12)18(4-2)14-9-21-8-11(14)15(19)20/h5-7,11,13-14H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyRAKCSPZGROJNKN-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.09
Rot. Bonds6

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

4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid (PubChem CID 115941714) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid
PubChem CID115941714
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-3-13(12-6-5-10(16)7-17-12)18(4-2)14-9-21-8-11(14)15(19)20/h5-7,11,13-14H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyRAKCSPZGROJNKN-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-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid (CID 115941714) is 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid is CCC(c1ccc(F)cn1)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid?
The InChIKey is RAKCSPZGROJNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-13(12-6-5-10(16)7-17-12)18(4-2)14-9-21-8-11(14)15(19)20/h5-7,11,13-14H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]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-[ethyl-[1-(5-fluoro-2-pyridinyl)propyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115941714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).