2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate

C13H27NO4Si — CID 91801338

IUPAC2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
SMILESCOC(=O)N(CC(=O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO4Si/c1-13(2,3)14(12(16)17-4)10-11(15)18-8-9-19(5,6)7/h8-10H2,1-7H3
InChIKeyNVKOKTQNFYYSQT-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.73
Rot. Bonds5

About 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate

2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate (PubChem CID 91801338) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
PubChem CID91801338
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Name2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
SMILESCOC(=O)N(CC(=O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO4Si/c1-13(2,3)14(12(16)17-4)10-11(15)18-8-9-19(5,6)7/h8-10H2,1-7H3
InChIKeyNVKOKTQNFYYSQT-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
The IUPAC name of 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate (CID 91801338) is 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
The canonical SMILES for 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate is COC(=O)N(CC(=O)OCC[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
The InChIKey is NVKOKTQNFYYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-13(2,3)14(12(16)17-4)10-11(15)18-8-9-19(5,6)7/h8-10H2,1-7H3.
What are the key properties of 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate has a molecular weight of 289.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate is sourced from PubChem (CID 91801338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).