trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate

C14H27N3O3Si2 — CID 530214

IUPACtrimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate
SMILESCC(=O)NC(Cc1cn([Si](C)(C)C)cn1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H27N3O3Si2/c1-11(18)16-13(14(19)20-22(5,6)7)8-12-9-17(10-15-12)21(2,3)4/h9-10,13H,8H2,1-7H3,(H,16,18)
InChIKeyCYRMTJAGQABXKW-UHFFFAOYSA-N
MW341.56 g/mol
LogP1.99
Rot. Bonds6

About trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate

trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate (PubChem CID 530214) has the molecular formula C14H27N3O3Si2 and a molecular weight of 341.56 g/mol. Its IUPAC name is trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate
PubChem CID530214
Molecular FormulaC14H27N3O3Si2
Molecular Weight341.56 g/mol
Exact Mass341.16
IUPAC Nametrimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate
SMILESCC(=O)NC(Cc1cn([Si](C)(C)C)cn1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H27N3O3Si2/c1-11(18)16-13(14(19)20-22(5,6)7)8-12-9-17(10-15-12)21(2,3)4/h9-10,13H,8H2,1-7H3,(H,16,18)
InChIKeyCYRMTJAGQABXKW-UHFFFAOYSA-N
XLogP1.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.56
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-acetamido-3-[1-(2-hydroxyphenyl)imidazol-4-yl]propanoate
CID 101161769
bis(trimethylsilyl) 2-acetamidopentanedioate
CID 554446
benzyl (2S)-2-acetamido-3-(1-benzylimidazol-4-yl)propanoate
CID 54045687
(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
CID 98008916
methyl (2S)-3-(1-propan-2-ylimidazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 25148715
methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096124
methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate
CID 132502209
(2S)-3-(1-aminoimidazol-4-yl)-2-(methylamino)propanoic acid
CID 90775486
2-acetamido-3-[1-(5-hydroxy-2-pentyloxolan-3-yl)imidazol-4-yl]propanoic acid
CID 71344211
N-trimethylsilyl-2-(1-trimethylsilylimidazol-4-yl)ethanamine
CID 530181
methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 65442025
2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
CID 15018091

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate?
The IUPAC name of trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate (CID 530214) is trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate.
What is the SMILES notation for trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate?
The canonical SMILES for trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate is CC(=O)NC(Cc1cn([Si](C)(C)C)cn1)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate?
The InChIKey is CYRMTJAGQABXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3Si2/c1-11(18)16-13(14(19)20-22(5,6)7)8-12-9-17(10-15-12)21(2,3)4/h9-10,13H,8H2,1-7H3,(H,16,18).
What are the key properties of trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate?
trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate has a molecular weight of 341.56 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate is sourced from PubChem (CID 530214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).