trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate

C10H19NO3Si — CID 521543

IUPACtrimethylsilyl 2-(3-methylbut-2-enoylamino)acetate
SMILESCC(C)=CC(=O)NCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H19NO3Si/c1-8(2)6-9(12)11-7-10(13)14-15(3,4)5/h6H,7H2,1-5H3,(H,11,12)
InChIKeyCIBNSCXUKAEBGH-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.45
Rot. Bonds4

About trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate

trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate (PubChem CID 521543) has the molecular formula C10H19NO3Si and a molecular weight of 229.35 g/mol. Its IUPAC name is trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-(3-methylbut-2-enoylamino)acetate
PubChem CID521543
Molecular FormulaC10H19NO3Si
Molecular Weight229.35 g/mol
Exact Mass229.11
IUPAC Nametrimethylsilyl 2-(3-methylbut-2-enoylamino)acetate
SMILESCC(C)=CC(=O)NCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H19NO3Si/c1-8(2)6-9(12)11-7-10(13)14-15(3,4)5/h6H,7H2,1-5H3,(H,11,12)
InChIKeyCIBNSCXUKAEBGH-UHFFFAOYSA-N
XLogP1.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate 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 trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate?
The IUPAC name of trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate (CID 521543) is trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate.
What is the SMILES notation for trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate?
The canonical SMILES for trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate is CC(C)=CC(=O)NCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate?
The InChIKey is CIBNSCXUKAEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3Si/c1-8(2)6-9(12)11-7-10(13)14-15(3,4)5/h6H,7H2,1-5H3,(H,11,12).
What are the key properties of trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate?
trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate has a molecular weight of 229.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(3-methylbut-2-enoylamino)acetate is sourced from PubChem (CID 521543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).