potassium 2-acetamidoethyl(methyl)azanide

C5H11KN2O — CID 178037217

IUPACpotassium 2-acetamidoethyl(methyl)azanide
SMILESC[N-]CCNC(C)=O.[K+]
InChIInChI=1S/C5H11N2O.K/c1-5(8)7-4-3-6-2;/h3-4H2,1-2H3,(H,7,8);/q-1;+1
InChIKeyMQTAZIUEHPDXLP-UHFFFAOYSA-N
MW154.25 g/mol
LogP-2.87
Rot. Bonds3

About potassium 2-acetamidoethyl(methyl)azanide

potassium 2-acetamidoethyl(methyl)azanide (PubChem CID 178037217) has the molecular formula C5H11KN2O and a molecular weight of 154.25 g/mol. Its IUPAC name is potassium 2-acetamidoethyl(methyl)azanide.

Molecular Properties

Compound Namepotassium 2-acetamidoethyl(methyl)azanide
PubChem CID178037217
Molecular FormulaC5H11KN2O
Molecular Weight154.25 g/mol
Exact Mass154.05
IUPAC Namepotassium 2-acetamidoethyl(methyl)azanide
SMILESC[N-]CCNC(C)=O.[K+]
InChIInChI=1S/C5H11N2O.K/c1-5(8)7-4-3-6-2;/h3-4H2,1-2H3,(H,7,8);/q-1;+1
InChIKeyMQTAZIUEHPDXLP-UHFFFAOYSA-N
XLogP-2.87
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 5-2.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium 2-acetamidoethyl(methyl)azanide 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 potassium 2-acetamidoethyl(methyl)azanide?
The IUPAC name of potassium 2-acetamidoethyl(methyl)azanide (CID 178037217) is potassium 2-acetamidoethyl(methyl)azanide.
What is the SMILES notation for potassium 2-acetamidoethyl(methyl)azanide?
The canonical SMILES for potassium 2-acetamidoethyl(methyl)azanide is C[N-]CCNC(C)=O.[K+].
What is the InChIKey of potassium 2-acetamidoethyl(methyl)azanide?
The InChIKey is MQTAZIUEHPDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O.K/c1-5(8)7-4-3-6-2;/h3-4H2,1-2H3,(H,7,8);/q-1;+1.
What are the key properties of potassium 2-acetamidoethyl(methyl)azanide?
potassium 2-acetamidoethyl(methyl)azanide has a molecular weight of 154.25 g/mol, XLogP of -2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-acetamidoethyl(methyl)azanide is sourced from PubChem (CID 178037217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).