2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid

C10H16F3NO4 — CID 103205947

IUPAC2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)COCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-4-14(9(2,3)8(16)17)7(15)5-18-6-10(11,12)13/h4-6H2,1-3H3,(H,16,17)
InChIKeyOZBNDJYXSWTLEA-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.28
Rot. Bonds6

About 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid (PubChem CID 103205947) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid
PubChem CID103205947
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)COCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-4-14(9(2,3)8(16)17)7(15)5-18-6-10(11,12)13/h4-6H2,1-3H3,(H,16,17)
InChIKeyOZBNDJYXSWTLEA-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic 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-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid (CID 103205947) is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid is CCN(C(=O)COCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is OZBNDJYXSWTLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-4-14(9(2,3)8(16)17)7(15)5-18-6-10(11,12)13/h4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 271.23 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 103205947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).