tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate

C15H33NO3Si — CID 87920809

IUPACtert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate
SMILESCN(CCO[Si](C)(C)C(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H33NO3Si/c1-14(2,3)19-13(17)12-16(7)10-11-18-20(8,9)15(4,5)6/h10-12H2,1-9H3
InChIKeyHHXMVMDRRPRDCP-UHFFFAOYSA-N
MW303.52 g/mol
LogP3.28
Rot. Bonds6

About tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate

tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate (PubChem CID 87920809) has the molecular formula C15H33NO3Si and a molecular weight of 303.52 g/mol. Its IUPAC name is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate
PubChem CID87920809
Molecular FormulaC15H33NO3Si
Molecular Weight303.52 g/mol
Exact Mass303.22
IUPAC Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate
SMILESCN(CCO[Si](C)(C)C(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H33NO3Si/c1-14(2,3)19-13(17)12-16(7)10-11-18-20(8,9)15(4,5)6/h10-12H2,1-9H3
InChIKeyHHXMVMDRRPRDCP-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-ethoxy-2-oxoethyl)-N-[3-(triethoxysilyl)-propyl]amine
CID 102422875
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate
CID 135041356
2-Acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium
CID 3069368
2-Acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium
CID 3069370
2-Trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate
CID 11004564
Methyl 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetate
CID 58018176
Dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide
CID 73388513
Dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium
CID 73388514
[2-(tert-Butyl-dimethyl-silanyloxy)-propylamino]-acetic acid tert-butyl ester
CID 86608494
tert-butyl 2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]acetate
CID 87652885
Tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
CID 87652886
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(2-hydroxyethyl)amino]acetate
CID 89579863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate?
The IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate (CID 87920809) is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate is CN(CCO[Si](C)(C)C(C)(C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate?
The InChIKey is HHXMVMDRRPRDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3Si/c1-14(2,3)19-13(17)12-16(7)10-11-18-20(8,9)15(4,5)6/h10-12H2,1-9H3.
What are the key properties of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate?
tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate has a molecular weight of 303.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate is sourced from PubChem (CID 87920809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).