tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate

C14H27NO5 — CID 102250594

IUPACtert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate
SMILESCC(C)(COC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-12(2,3)19-10(16)15-14(7,8)9-18-11(17)20-13(4,5)6/h9H2,1-8H3,(H,15,16)
InChIKeyZMVAOEIPZNEVKI-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate

tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate (PubChem CID 102250594) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate.

Molecular Properties

Compound Nametert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate
PubChem CID102250594
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nametert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate
SMILESCC(C)(COC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-12(2,3)19-10(16)15-14(7,8)9-18-11(17)20-13(4,5)6/h9H2,1-8H3,(H,15,16)
InChIKeyZMVAOEIPZNEVKI-UHFFFAOYSA-N
XLogP3.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate?
The IUPAC name of tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate (CID 102250594) is tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate.
What is the SMILES notation for tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate?
The canonical SMILES for tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate is CC(C)(COC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate?
The InChIKey is ZMVAOEIPZNEVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-12(2,3)19-10(16)15-14(7,8)9-18-11(17)20-13(4,5)6/h9H2,1-8H3,(H,15,16).
What are the key properties of tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate?
tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate has a molecular weight of 289.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate is sourced from PubChem (CID 102250594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).