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

C12H13FN2O4 — CID 66238911

IUPAC4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1NC1COCC1C(=O)O
InChIInChI=1S/C12H13FN2O4/c13-6-1-2-9(7(3-6)11(14)16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10,15H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyGPECAHLJDDWVCC-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.44
Rot. Bonds4

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

4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid (PubChem CID 66238911) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid
PubChem CID66238911
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1NC1COCC1C(=O)O
InChIInChI=1S/C12H13FN2O4/c13-6-1-2-9(7(3-6)11(14)16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10,15H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyGPECAHLJDDWVCC-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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Related Compounds

Ethyl 4-(([2-(cyclopentylamino)-4,5-difluorobenzoyl]amino}oxy)butanoate
CID 59311205
4-Fluoro-2-(oxan-4-ylamino)benzamide
CID 60147259
2-(2-Carbamoyl-4-fluoroanilino)butanoic acid
CID 63661302
methyl (2S)-2-[(2-amino-4-fluorobenzoyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 69432169
Methyl N-[(2-amino-4-fluorophenyl)carbonyl]-O-(1,1-dimethylethyl)-L-threoninate
CID 69432172
4-[[4-(cyclohexylamino)-5-fluoro-2-[[(3R)-oxolan-3-yl]amino]benzoyl]amino]butanoic acid
CID 70940523
2-(2-Carbamoyl-3-fluoroanilino)butanoic acid
CID 79513727
2-(2-Carbamoyl-3-fluoroanilino)acetic acid
CID 79513816
(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
N-fluoro-2-(oxolan-3-ylamino)benzamide
CID 121349248

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid (CID 66238911) is 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid is NC(=O)c1cc(F)ccc1NC1COCC1C(=O)O.
What is the InChIKey of 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The InChIKey is GPECAHLJDDWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-6-1-2-9(7(3-6)11(14)16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10,15H,4-5H2,(H2,14,16)(H,17,18).
What are the key properties of 4-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid?
4-(2-carbamoyl-4-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-(2-carbamoyl-4-fluoroanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66238911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).