(2-methylpropan-2-yl)oxycarbonylazanium

C5H12NO2+ — CID 20740640

IUPAC(2-methylpropan-2-yl)oxycarbonylazanium
SMILESCC(C)(C)OC([NH3+])=O
InChIInChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)/p+1
InChIKeyLFKDJXLFVYVEFG-UHFFFAOYSA-O
MW118.16 g/mol
LogP0.16
Rot. Bonds

About (2-methylpropan-2-yl)oxycarbonylazanium

(2-methylpropan-2-yl)oxycarbonylazanium (PubChem CID 20740640) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonylazanium.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonylazanium
PubChem CID20740640
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(2-methylpropan-2-yl)oxycarbonylazanium
SMILESCC(C)(C)OC([NH3+])=O
InChIInChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)/p+1
InChIKeyLFKDJXLFVYVEFG-UHFFFAOYSA-O
XLogP0.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonylazanium?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonylazanium (CID 20740640) is (2-methylpropan-2-yl)oxycarbonylazanium.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonylazanium?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonylazanium is CC(C)(C)OC([NH3+])=O.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonylazanium?
The InChIKey is LFKDJXLFVYVEFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)/p+1.
What are the key properties of (2-methylpropan-2-yl)oxycarbonylazanium?
(2-methylpropan-2-yl)oxycarbonylazanium has a molecular weight of 118.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonylazanium is sourced from PubChem (CID 20740640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).