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

C13H27NO4Si — CID 529362

IUPAC[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
SMILESCC(C)COC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO4Si/c1-10(2)9-17-12(16)14-8-11(15)18-19(6,7)13(3,4)5/h10H,8-9H2,1-7H3,(H,14,16)
InChIKeyNWKGPYXASXHPRD-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.92
Rot. Bonds5

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

[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate (PubChem CID 529362) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
PubChem CID529362
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
SMILESCC(C)COC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO4Si/c1-10(2)9-17-12(16)14-8-11(15)18-19(6,7)13(3,4)5/h10H,8-9H2,1-7H3,(H,14,16)
InChIKeyNWKGPYXASXHPRD-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate (CID 529362) is [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate is CC(C)COC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate?
The InChIKey is NWKGPYXASXHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-10(2)9-17-12(16)14-8-11(15)18-19(6,7)13(3,4)5/h10H,8-9H2,1-7H3,(H,14,16).
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate?
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate has a molecular weight of 289.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate is sourced from PubChem (CID 529362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).