2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

C7H11F3N2O3 — CID 61183621

IUPAC2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-2-12(3-5(13)14)6(15)11-4-7(8,9)10/h2-4H2,1H3,(H,11,15)(H,13,14)
InChIKeyZKKCUYDULGIPJB-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.66
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (PubChem CID 61183621) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
PubChem CID61183621
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-2-12(3-5(13)14)6(15)11-4-7(8,9)10/h2-4H2,1H3,(H,11,15)(H,13,14)
InChIKeyZKKCUYDULGIPJB-UHFFFAOYSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)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-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (CID 61183621) is 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The InChIKey is ZKKCUYDULGIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-2-12(3-5(13)14)6(15)11-4-7(8,9)10/h2-4H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid has a molecular weight of 228.17 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61183621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).