2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H18F3NO3 — CID 79266437

IUPAC2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC(F)(F)F)CCO1
InChIInChI=1S/C11H18F3NO3/c1-10(2)5-8(3-4-18-10)15(6-9(16)17)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyMJFMXOPRUILUPL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266437) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266437
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC(F)(F)F)CCO1
InChIInChI=1S/C11H18F3NO3/c1-10(2)5-8(3-4-18-10)15(6-9(16)17)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyMJFMXOPRUILUPL-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic 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 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266437) is 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(C)CC(N(CC(=O)O)CC(F)(F)F)CCO1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MJFMXOPRUILUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-10(2)5-8(3-4-18-10)15(6-9(16)17)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).