3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid

C11H11FN2O4 — CID 104638297

IUPAC3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2O4/c12-7-1-2-8(13-5-7)9(15)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyZRUGEUBRNODTMT-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.19
Rot. Bonds3

About 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid

3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 104638297) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID104638297
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(F)cn1
InChIInChI=1S/C11H11FN2O4/c12-7-1-2-8(13-5-7)9(15)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyZRUGEUBRNODTMT-UHFFFAOYSA-N
XLogP0.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 113352905
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 122108227
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
3-[(4-chloro-2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82783105
4-[(6-chloropyridazine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 114037097
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 104638297) is 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1ccc(F)cn1.
What is the InChIKey of 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZRUGEUBRNODTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-7-1-2-8(13-5-7)9(15)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 254.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 104638297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).