tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate

C14H31NO3Si — CID 135041356

IUPACtert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate
SMILESCC(C)(C)OC(=O)CNCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO3Si/c1-13(2,3)18-12(16)11-15-9-10-17-19(7,8)14(4,5)6/h15H,9-11H2,1-8H3
InChIKeyZWHBFJZKQLGIRN-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.94
Rot. Bonds6

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

tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate (PubChem CID 135041356) has the molecular formula C14H31NO3Si and a molecular weight of 289.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate
PubChem CID135041356
Molecular FormulaC14H31NO3Si
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate
SMILESCC(C)(C)OC(=O)CNCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO3Si/c1-13(2,3)18-12(16)11-15-9-10-17-19(7,8)14(4,5)6/h15H,9-11H2,1-8H3
InChIKeyZWHBFJZKQLGIRN-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate (CID 135041356) is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate is CC(C)(C)OC(=O)CNCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate?
The InChIKey is ZWHBFJZKQLGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3Si/c1-13(2,3)18-12(16)11-15-9-10-17-19(7,8)14(4,5)6/h15H,9-11H2,1-8H3.
What are the key properties of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate?
tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]acetate has a molecular weight of 289.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 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]oxyethylamino]acetate is sourced from PubChem (CID 135041356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).