5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid

C13H13FN2O5 — CID 102687973

IUPAC5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)c1ccc(F)c(NC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C13H13FN2O5/c14-7-2-1-6(11(15)17)5-8(7)16-12(18)9-3-4-10(21-9)13(19)20/h1-2,5,9-10H,3-4H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeySKUVYLFWKTYCTP-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.50
Rot. Bonds4

About 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid

5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687973) has the molecular formula C13H13FN2O5 and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687973
Molecular FormulaC13H13FN2O5
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)c1ccc(F)c(NC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C13H13FN2O5/c14-7-2-1-6(11(15)17)5-8(7)16-12(18)9-3-4-10(21-9)13(19)20/h1-2,5,9-10H,3-4H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeySKUVYLFWKTYCTP-UHFFFAOYSA-N
XLogP0.50
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550192
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687633
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687923
5-[(2-cyano-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687786
(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 120784950
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066

Frequently Asked Questions

What is the IUPAC name of 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687973) is 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid is NC(=O)c1ccc(F)c(NC(=O)C2CCC(C(=O)O)O2)c1.
What is the InChIKey of 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SKUVYLFWKTYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O5/c14-7-2-1-6(11(15)17)5-8(7)16-12(18)9-3-4-10(21-9)13(19)20/h1-2,5,9-10H,3-4H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).