tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate

C10H21NO3 — CID 86627905

IUPACtert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CO
InChIInChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11(6)10(4,5)7-12/h12H,7H2,1-6H3
InChIKeyKOQZYYCXXXYLFD-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.62
Rot. Bonds2

About tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate

tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate (PubChem CID 86627905) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate
PubChem CID86627905
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CO
InChIInChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11(6)10(4,5)7-12/h12H,7H2,1-6H3
InChIKeyKOQZYYCXXXYLFD-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate (CID 86627905) is tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(C)(C)CO.
What is the InChIKey of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate?
The InChIKey is KOQZYYCXXXYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11(6)10(4,5)7-12/h12H,7H2,1-6H3.
What are the key properties of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate?
tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate is sourced from PubChem (CID 86627905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).