[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate

C15H19NO6Si — CID 152719946

IUPAC[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
SMILESCC=CC(=O)OCC(=O)O[Si](CN)(OC(C)=O)c1ccccc1
InChIInChI=1S/C15H19NO6Si/c1-3-7-14(18)20-10-15(19)22-23(11-16,21-12(2)17)13-8-5-4-6-9-13/h3-9H,10-11,16H2,1-2H3
InChIKeyZVKHRAILAIVFPF-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.06
Rot. Bonds7

About [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate

[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate (PubChem CID 152719946) has the molecular formula C15H19NO6Si and a molecular weight of 337.40 g/mol. Its IUPAC name is [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate.

Molecular Properties

Compound Name[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
PubChem CID152719946
Molecular FormulaC15H19NO6Si
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
SMILESCC=CC(=O)OCC(=O)O[Si](CN)(OC(C)=O)c1ccccc1
InChIInChI=1S/C15H19NO6Si/c1-3-7-14(18)20-10-15(19)22-23(11-16,21-12(2)17)13-8-5-4-6-9-13/h3-9H,10-11,16H2,1-2H3
InChIKeyZVKHRAILAIVFPF-UHFFFAOYSA-N
XLogP0.06
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate 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

[acetyloxy-(aminomethyl)-phenylsilyl] acetate
CID 141215853
(2-oxo-2-phenoxyethyl) (E)-but-2-enoate
CID 139920306
[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
CID 90098236
3-[methyl(diphenyl)silyl]propyl but-2-enoate
CID 69118200
benzyl (E)-but-2-enoate
CID 5356259
[phenyl-di(propan-2-yl)silyl] but-2-enoate
CID 175274232
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
[diacetyloxy(phenyl)silyl] 2-methoxyacetate
CID 67232627
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-but-2-enoate
CID 2507898
[ethyl(diphenyl)silyl] acetate
CID 66773951
2-phenylethyl (E)-but-2-enoate
CID 5354304
(2-ethoxy-2-oxoethyl) (E)-but-2-enoate
CID 22635026

Frequently Asked Questions

What is the IUPAC name of [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate?
The IUPAC name of [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate (CID 152719946) is [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate.
What is the SMILES notation for [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate?
The canonical SMILES for [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate is CC=CC(=O)OCC(=O)O[Si](CN)(OC(C)=O)c1ccccc1.
What is the InChIKey of [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate?
The InChIKey is ZVKHRAILAIVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6Si/c1-3-7-14(18)20-10-15(19)22-23(11-16,21-12(2)17)13-8-5-4-6-9-13/h3-9H,10-11,16H2,1-2H3.
What are the key properties of [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate?
[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate has a molecular weight of 337.40 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate is sourced from PubChem (CID 152719946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).