[tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate

C15H31NO4Si — CID 6429980

IUPAC[tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate
SMILESCC(C)COC(=O)NC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NO4Si/c1-11(2)10-19-13(18)16-15(6,7)12(17)20-21(8,9)14(3,4)5/h11H,10H2,1-9H3,(H,16,18)
InChIKeyQUROGVJYFUVGGY-UHFFFAOYSA-N
MW317.50 g/mol
LogP3.70
Rot. Bonds5

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

[tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate (PubChem CID 6429980) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate
PubChem CID6429980
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name[tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate
SMILESCC(C)COC(=O)NC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NO4Si/c1-11(2)10-19-13(18)16-15(6,7)12(17)20-21(8,9)14(3,4)5/h11H,10H2,1-9H3,(H,16,18)
InChIKeyQUROGVJYFUVGGY-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.70
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-methyl-2-(2-methylpropoxycarbonylamino)propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate (CID 6429980) is [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate is CC(C)COC(=O)NC(C)(C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate?
The InChIKey is QUROGVJYFUVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-11(2)10-19-13(18)16-15(6,7)12(17)20-21(8,9)14(3,4)5/h11H,10H2,1-9H3,(H,16,18).
What are the key properties of [tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate?
[tert-butyl(dimethyl)silyl] 2-methyl-2-(2-methylpropoxycarbonylamino)propanoate has a molecular weight of 317.50 g/mol, XLogP of 3.70, 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-methyl-2-(2-methylpropoxycarbonylamino)propanoate is sourced from PubChem (CID 6429980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).