methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate

C14H21NO3Si — CID 132559584

IUPACmethyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate
SMILESCOC(=O)C(C[Si](C)(C)c1ccccc1)NC(C)=O
InChIInChI=1S/C14H21NO3Si/c1-11(16)15-13(14(17)18-2)10-19(3,4)12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,15,16)
InChIKeyJETQOYFVEXETMQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.28
Rot. Bonds5

About methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate

methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate (PubChem CID 132559584) has the molecular formula C14H21NO3Si and a molecular weight of 279.41 g/mol. Its IUPAC name is methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate
PubChem CID132559584
Molecular FormulaC14H21NO3Si
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Namemethyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate
SMILESCOC(=O)C(C[Si](C)(C)c1ccccc1)NC(C)=O
InChIInChI=1S/C14H21NO3Si/c1-11(16)15-13(14(17)18-2)10-19(3,4)12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,15,16)
InChIKeyJETQOYFVEXETMQ-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.28
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 methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate?
The IUPAC name of methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate (CID 132559584) is methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate is COC(=O)C(C[Si](C)(C)c1ccccc1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate?
The InChIKey is JETQOYFVEXETMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3Si/c1-11(16)15-13(14(17)18-2)10-19(3,4)12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate?
methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate has a molecular weight of 279.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate is sourced from PubChem (CID 132559584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).