4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C10H16F3NO4 — CID 103497906

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-6(7(2)9(17)18)8(16)14(3-4-15)5-10(11,12)13/h6-7,15H,3-5H2,1-2H3,(H,17,18)
InChIKeyACCZXHPDNPDKFJ-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.73
Rot. Bonds6

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103497906) has the molecular formula C10H16F3NO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103497906
Molecular FormulaC10H16F3NO4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-6(7(2)9(17)18)8(16)14(3-4-15)5-10(11,12)13/h6-7,15H,3-5H2,1-2H3,(H,17,18)
InChIKeyACCZXHPDNPDKFJ-UHFFFAOYSA-N
XLogP0.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic 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 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103497906) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is ACCZXHPDNPDKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-6(7(2)9(17)18)8(16)14(3-4-15)5-10(11,12)13/h6-7,15H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 271.24 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103497906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).