tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate

C10H15F3N2O4 — CID 166436899

IUPACtert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESCC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-9(2,3)19-7(17)5(4-6(14)16)15-8(18)10(11,12)13/h5H,4H2,1-3H3,(H2,14,16)(H,15,18)/t5-/m0/s1
InChIKeyYRTLBGLIZILXHJ-YFKPBYRVSA-N
MW284.23 g/mol
LogP0.25
Rot. Bonds4

About tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate

tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate (PubChem CID 166436899) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
PubChem CID166436899
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Nametert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESCC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-9(2,3)19-7(17)5(4-6(14)16)15-8(18)10(11,12)13/h5H,4H2,1-3H3,(H2,14,16)(H,15,18)/t5-/m0/s1
InChIKeyYRTLBGLIZILXHJ-YFKPBYRVSA-N
XLogP0.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate 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 tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The IUPAC name of tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate (CID 166436899) is tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate.
What is the SMILES notation for tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The canonical SMILES for tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate is CC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The InChIKey is YRTLBGLIZILXHJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-9(2,3)19-7(17)5(4-6(14)16)15-8(18)10(11,12)13/h5H,4H2,1-3H3,(H2,14,16)(H,15,18)/t5-/m0/s1.
What are the key properties of tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate has a molecular weight of 284.23 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate is sourced from PubChem (CID 166436899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).