2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H17F3N2O3 — CID 79257690

IUPAC2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)NC(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(2)14-8(16)4-15(5-9(17)18)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQTGGPLXQYVKQRG-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.85
Rot. Bonds7

About 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257690) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257690
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)NC(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(2)14-8(16)4-15(5-9(17)18)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQTGGPLXQYVKQRG-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(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-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257690) is 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCC(C)NC(=O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QTGGPLXQYVKQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-7(2)14-8(16)4-15(5-9(17)18)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).