acetamidomethylazanium

C3H9N2O+ — CID 70679062

IUPACacetamidomethylazanium
SMILESCC(=O)NC[NH3+]
InChIInChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)/p+1
InChIKeyBLMIGVQIUUGRMY-UHFFFAOYSA-O
MW89.12 g/mol
LogP-1.68
Rot. Bonds1

About acetamidomethylazanium

acetamidomethylazanium (PubChem CID 70679062) has the molecular formula C3H9N2O+ and a molecular weight of 89.12 g/mol. Its IUPAC name is acetamidomethylazanium.

Molecular Properties

Compound Nameacetamidomethylazanium
PubChem CID70679062
Molecular FormulaC3H9N2O+
Molecular Weight89.12 g/mol
Exact Mass89.07
IUPAC Nameacetamidomethylazanium
SMILESCC(=O)NC[NH3+]
InChIInChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)/p+1
InChIKeyBLMIGVQIUUGRMY-UHFFFAOYSA-O
XLogP-1.68
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.12
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetamidomethylazanium?
The IUPAC name of acetamidomethylazanium (CID 70679062) is acetamidomethylazanium.
What is the SMILES notation for acetamidomethylazanium?
The canonical SMILES for acetamidomethylazanium is CC(=O)NC[NH3+].
What is the InChIKey of acetamidomethylazanium?
The InChIKey is BLMIGVQIUUGRMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)/p+1.
What are the key properties of acetamidomethylazanium?
acetamidomethylazanium has a molecular weight of 89.12 g/mol, XLogP of -1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamidomethylazanium is sourced from PubChem (CID 70679062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).