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

C12H13FN2O4 — CID 64888305

IUPAC3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H13FN2O4/c13-7-1-2-9(8(5-7)10(14)16)15-12(11(17)18)3-4-19-6-12/h1-2,5,15H,3-4,6H2,(H2,14,16)(H,17,18)
InChIKeyHAZFRZQQOFRHPP-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.58
Rot. Bonds4

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

3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid (PubChem CID 64888305) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid
PubChem CID64888305
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H13FN2O4/c13-7-1-2-9(8(5-7)10(14)16)15-12(11(17)18)3-4-19-6-12/h1-2,5,15H,3-4,6H2,(H2,14,16)(H,17,18)
InChIKeyHAZFRZQQOFRHPP-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl [2-(aminocarbonyl)anilino](oxo)acetate
CID 1581466
Ethyl 3-[(2-carbamoylphenyl)amino]-3-oxopropanoate
CID 17097470
Methyl 2-methyl-2-[[2-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]propanoate
CID 53663114
2-(2-Carbamoyl-4-fluoroanilino)butanoic acid
CID 63661302
Ethyl 2-(2-carbamoyl-6-fluorophenylamino)-2-oxoacetate
CID 66610273
Ethyl ((2-(aminocarbonyl)-4-fluorophenyl)amino)(oxo)acetate
CID 66768981
Ethyl ((2-(aminocarbonyl)-3-fluorophenyl)amino)(oxo)acetate
CID 66769038
2-(2-Carbamoyl-4-fluoroanilino)-2-oxoacetic acid
CID 69017763
2-(2-Carbamoyl-3-fluoroanilino)-2-oxoacetic acid
CID 69018099
(3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 118202088
3-[3-Fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 118202089
Methyl (R)-3-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]tetrahydrofuran-3-carboxylate
CID 118213844

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid (CID 64888305) is 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid is NC(=O)c1cc(F)ccc1NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The InChIKey is HAZFRZQQOFRHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-7-1-2-9(8(5-7)10(14)16)15-12(11(17)18)3-4-19-6-12/h1-2,5,15H,3-4,6H2,(H2,14,16)(H,17,18).
What are the key properties of 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid has a molecular weight of 268.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64888305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).