4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid

C10H14F3NO4 — CID 66238181

IUPAC4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H14F3NO4/c1-14(8(15)2-3-10(11,12)13)7-5-18-4-6(7)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyRTRXKLMEDNKLJD-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.89
Rot. Bonds4

About 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid

4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238181) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid
PubChem CID66238181
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H14F3NO4/c1-14(8(15)2-3-10(11,12)13)7-5-18-4-6(7)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyRTRXKLMEDNKLJD-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(4,4,4-trifluorobutanoyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid (CID 66238181) is 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid is CN(C(=O)CCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is RTRXKLMEDNKLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-14(8(15)2-3-10(11,12)13)7-5-18-4-6(7)9(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4,4,4-trifluorobutanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).