4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid

C12H13FN2O4 — CID 66241106

IUPAC4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid
SMILESNC(=O)c1ccc(NC2COCC2C(=O)O)c(F)c1
InChIInChI=1S/C12H13FN2O4/c13-8-3-6(11(14)16)1-2-9(8)15-10-5-19-4-7(10)12(17)18/h1-3,7,10,15H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyJRFDFRWOLFITTQ-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.44
Rot. Bonds4

About 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid

4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid (PubChem CID 66241106) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid
PubChem CID66241106
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid
SMILESNC(=O)c1ccc(NC2COCC2C(=O)O)c(F)c1
InChIInChI=1S/C12H13FN2O4/c13-8-3-6(11(14)16)1-2-9(8)15-10-5-19-4-7(10)12(17)18/h1-3,7,10,15H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyJRFDFRWOLFITTQ-UHFFFAOYSA-N
XLogP0.44
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid (CID 66241106) is 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid is NC(=O)c1ccc(NC2COCC2C(=O)O)c(F)c1.
What is the InChIKey of 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid?
The InChIKey is JRFDFRWOLFITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-8-3-6(11(14)16)1-2-9(8)15-10-5-19-4-7(10)12(17)18/h1-3,7,10,15H,4-5H2,(H2,14,16)(H,17,18).
What are the key properties of 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid?
4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid has a molecular weight of 268.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-2-fluoroanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66241106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).