2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid

C10H16F3NO4 — CID 65265963

IUPAC2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid
SMILESCC(C)(NC(=O)OCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-8(2,6(15)16)9(3,4)14-7(17)18-5-10(11,12)13/h5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyCMCLDWPMNAXFDI-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.16
Rot. Bonds4

About 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid

2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid (PubChem CID 65265963) has the molecular formula C10H16F3NO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid
PubChem CID65265963
Molecular FormulaC10H16F3NO4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Name2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid
SMILESCC(C)(NC(=O)OCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-8(2,6(15)16)9(3,4)14-7(17)18-5-10(11,12)13/h5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyCMCLDWPMNAXFDI-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic 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 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid (CID 65265963) is 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid is CC(C)(NC(=O)OCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid?
The InChIKey is CMCLDWPMNAXFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-8(2,6(15)16)9(3,4)14-7(17)18-5-10(11,12)13/h5H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid?
2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid has a molecular weight of 271.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 65265963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).