trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C8H14F3NO3Si — CID 22214318

IUPACtrimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H14F3NO3Si/c1-5(6(13)15-16(2,3)4)12-7(14)8(9,10)11/h5H,1-4H3,(H,12,14)/t5-/m0/s1
InChIKeyNKYXQKAASUDVSF-YFKPBYRVSA-N
MW257.28 g/mol
LogP1.43
Rot. Bonds3

About trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 22214318) has the molecular formula C8H14F3NO3Si and a molecular weight of 257.28 g/mol. Its IUPAC name is trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID22214318
Molecular FormulaC8H14F3NO3Si
Molecular Weight257.28 g/mol
Exact Mass257.07
IUPAC Nametrimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H14F3NO3Si/c1-5(6(13)15-16(2,3)4)12-7(14)8(9,10)11/h5H,1-4H3,(H,12,14)/t5-/m0/s1
InChIKeyNKYXQKAASUDVSF-YFKPBYRVSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 553576
butyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 520169
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide
CID 118532093
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310
methyl (2S)-3,3,3-trifluoro-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 56845696
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
CID 23278807

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 22214318) is trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is C[C@H](NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is NKYXQKAASUDVSF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14F3NO3Si/c1-5(6(13)15-16(2,3)4)12-7(14)8(9,10)11/h5H,1-4H3,(H,12,14)/t5-/m0/s1.
What are the key properties of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 257.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 22214318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).