4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid

C11H14FN3O3 — CID 113432079

IUPAC4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1ncc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C11H14FN3O3/c1-2-15(11-13-3-7(12)4-14-11)9-6-18-5-8(9)10(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)
InChIKeyCTCVEBQWXWXOEM-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.54
Rot. Bonds4

About 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid

4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 113432079) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID113432079
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1ncc(F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C11H14FN3O3/c1-2-15(11-13-3-7(12)4-14-11)9-6-18-5-8(9)10(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)
InChIKeyCTCVEBQWXWXOEM-UHFFFAOYSA-N
XLogP0.54
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid (CID 113432079) is 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid is CCN(c1ncc(F)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is CTCVEBQWXWXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-2-15(11-13-3-7(12)4-14-11)9-6-18-5-8(9)10(16)17/h3-4,8-9H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 113432079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).