2-methylpropanoyl(oxido)azanium

C4H9NO2 — CID 20539952

IUPAC2-methylpropanoyl(oxido)azanium
SMILESCC(C)C(=O)[NH2+][O-]
InChIInChI=1S/C4H9NO2/c1-3(2)4(6)5-7/h3H,5H2,1-2H3
InChIKeyFHSXBLWETLGDHU-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.77
Rot. Bonds1

About 2-methylpropanoyl(oxido)azanium

2-methylpropanoyl(oxido)azanium (PubChem CID 20539952) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-methylpropanoyl(oxido)azanium.

Molecular Properties

Compound Name2-methylpropanoyl(oxido)azanium
PubChem CID20539952
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-methylpropanoyl(oxido)azanium
SMILESCC(C)C(=O)[NH2+][O-]
InChIInChI=1S/C4H9NO2/c1-3(2)4(6)5-7/h3H,5H2,1-2H3
InChIKeyFHSXBLWETLGDHU-UHFFFAOYSA-N
XLogP-0.77
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methylpropanoyl(oxido)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoyl(oxido)azanium?
The IUPAC name of 2-methylpropanoyl(oxido)azanium (CID 20539952) is 2-methylpropanoyl(oxido)azanium.
What is the SMILES notation for 2-methylpropanoyl(oxido)azanium?
The canonical SMILES for 2-methylpropanoyl(oxido)azanium is CC(C)C(=O)[NH2+][O-].
What is the InChIKey of 2-methylpropanoyl(oxido)azanium?
The InChIKey is FHSXBLWETLGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(2)4(6)5-7/h3H,5H2,1-2H3.
What are the key properties of 2-methylpropanoyl(oxido)azanium?
2-methylpropanoyl(oxido)azanium has a molecular weight of 103.12 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoyl(oxido)azanium is sourced from PubChem (CID 20539952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).