4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid

C11H17F3N2O4 — CID 115293256

IUPAC4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-16(5-2-11(12,13)14)9(19)15-10(8(17)18)3-6-20-7-4-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyLVRWYBNSYPAECY-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.21
Rot. Bonds4

About 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115293256) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115293256
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-16(5-2-11(12,13)14)9(19)15-10(8(17)18)3-6-20-7-4-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyLVRWYBNSYPAECY-UHFFFAOYSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid (CID 115293256) is 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid is CN(CCC(F)(F)F)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is LVRWYBNSYPAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-16(5-2-11(12,13)14)9(19)15-10(8(17)18)3-6-20-7-4-10/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).