3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid

C10H15F3N2O4 — CID 66249979

IUPAC3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCCC(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-9(7(16)17)5-19-4-6(9)15-8(18)14-3-2-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyKLTYXATXYWSASF-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.73
Rot. Bonds4

About 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid

3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66249979) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66249979
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCCC(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-9(7(16)17)5-19-4-6(9)15-8(18)14-3-2-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyKLTYXATXYWSASF-UHFFFAOYSA-N
XLogP0.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66250740
3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79359495
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245
3-methyl-4-(2-prop-2-enylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 114187962
3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 114174525
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 107482045
3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249187
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249390
3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66250953

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid (CID 66249979) is 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)NCCC(F)(F)F.
What is the InChIKey of 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is KLTYXATXYWSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-9(7(16)17)5-19-4-6(9)15-8(18)14-3-2-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid?
3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66249979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).