4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid

C10H15F3N2O4 — CID 79811935

IUPAC4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C(C)(N)C(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-9(14,10(11,12)13)8(18)15(2)6-4-19-3-5(6)7(16)17/h5-6H,3-4,14H2,1-2H3,(H,16,17)
InChIKeyMKQCDJNMNFMGSZ-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.18
Rot. Bonds3

About 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 79811935) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID79811935
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C(C)(N)C(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-9(14,10(11,12)13)8(18)15(2)6-4-19-3-5(6)7(16)17/h5-6H,3-4,14H2,1-2H3,(H,16,17)
InChIKeyMKQCDJNMNFMGSZ-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid (CID 79811935) is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)C(C)(N)C(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is MKQCDJNMNFMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-9(14,10(11,12)13)8(18)15(2)6-4-19-3-5(6)7(16)17/h5-6H,3-4,14H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79811935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).