4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid

C11H15F3N2O4 — CID 106216298

IUPAC4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1(C(F)(F)F)CC1)C1COCC1C(=O)O
InChIInChI=1S/C11H15F3N2O4/c1-16(7-5-20-4-6(7)8(17)18)9(19)15-10(2-3-10)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyBPDXNUXOMMJYPT-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.82
Rot. Bonds3

About 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid

4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 106216298) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID106216298
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NC1(C(F)(F)F)CC1)C1COCC1C(=O)O
InChIInChI=1S/C11H15F3N2O4/c1-16(7-5-20-4-6(7)8(17)18)9(19)15-10(2-3-10)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyBPDXNUXOMMJYPT-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351
4-[[2-(aminomethyl)-2-ethylbutanoyl]-methylamino]oxolane-3-carboxylic acid
CID 115432637
4-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260757
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 115356702
4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
CID 79814802

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid (CID 106216298) is 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid is CN(C(=O)NC1(C(F)(F)F)CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BPDXNUXOMMJYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c1-16(7-5-20-4-6(7)8(17)18)9(19)15-10(2-3-10)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106216298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).