trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C14H18F3NO3Si — CID 22294845

IUPACtrimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESC[Si](C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H18F3NO3Si/c1-22(2,3)21-12(19)11(18-13(20)14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyMRVDKKCSXVEZMU-NSHDSACASA-N
MW333.38 g/mol
LogP2.65
Rot. Bonds5

About trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 22294845) has the molecular formula C14H18F3NO3Si and a molecular weight of 333.38 g/mol. Its IUPAC name is trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID22294845
Molecular FormulaC14H18F3NO3Si
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC Nametrimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESC[Si](C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H18F3NO3Si/c1-22(2,3)21-12(19)11(18-13(20)14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyMRVDKKCSXVEZMU-NSHDSACASA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 22294845) is trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is C[Si](C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is MRVDKKCSXVEZMU-NSHDSACASA-N. The full InChI is InChI=1S/C14H18F3NO3Si/c1-22(2,3)21-12(19)11(18-13(20)14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 333.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 22294845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).