methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium

C6H13NO2 — CID 88535467

IUPACmethanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
SMILES[CH2-][NH2+]C(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h4,7H2,1-3H3
InChIKeyOJXSSZUPSMFKAA-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.28
Rot. Bonds

About methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium

methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium (PubChem CID 88535467) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium.

Molecular Properties

Compound Namemethanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
PubChem CID88535467
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namemethanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
SMILES[CH2-][NH2+]C(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h4,7H2,1-3H3
InChIKeyOJXSSZUPSMFKAA-UHFFFAOYSA-N
XLogP0.28
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
The IUPAC name of methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium (CID 88535467) is methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium.
What is the SMILES notation for methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
The canonical SMILES for methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium is [CH2-][NH2+]C(=O)OC(C)(C)C.
What is the InChIKey of methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
The InChIKey is OJXSSZUPSMFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h4,7H2,1-3H3.
What are the key properties of methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium has a molecular weight of 131.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium is sourced from PubChem (CID 88535467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).