5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid

C13H14FNO4 — CID 102687633

IUPAC5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1cc(F)ccc1NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H14FNO4/c1-7-6-8(14)2-3-9(7)15-12(16)10-4-5-11(19-10)13(17)18/h2-3,6,10-11H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyGLLUJQFLXZHXGK-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.70
Rot. Bonds3

About 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid

5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687633) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687633
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1cc(F)ccc1NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H14FNO4/c1-7-6-8(14)2-3-9(7)15-12(16)10-4-5-11(19-10)13(17)18/h2-3,6,10-11H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyGLLUJQFLXZHXGK-UHFFFAOYSA-N
XLogP1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
(1S,2S,3S,4S)-3-[(4-fluoro-2-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18558014
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
3-[(4-fluoro-2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6470679
5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687973
N-(2-carbamothioyl-4-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 82016133
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
5-[(3-bromo-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102732434
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687633) is 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid is Cc1cc(F)ccc1NC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is GLLUJQFLXZHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-7-6-8(14)2-3-9(7)15-12(16)10-4-5-11(19-10)13(17)18/h2-3,6,10-11H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).