acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium

C7H15N2O3+ — CID 54304818

IUPACacetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC(=O)NC(=O)[N+](C)(C)CCO
InChIInChI=1S/C7H14N2O3/c1-6(11)8-7(12)9(2,3)4-5-10/h10H,4-5H2,1-3H3/p+1
InChIKeySGTKMAQSIXITST-UHFFFAOYSA-O
MW175.21 g/mol
LogP-0.69
Rot. Bonds2

About acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium

acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 54304818) has the molecular formula C7H15N2O3+ and a molecular weight of 175.21 g/mol. Its IUPAC name is acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Nameacetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID54304818
Molecular FormulaC7H15N2O3+
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Nameacetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC(=O)NC(=O)[N+](C)(C)CCO
InChIInChI=1S/C7H14N2O3/c1-6(11)8-7(12)9(2,3)4-5-10/h10H,4-5H2,1-3H3/p+1
InChIKeySGTKMAQSIXITST-UHFFFAOYSA-O
XLogP-0.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium (CID 54304818) is acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium is CC(=O)NC(=O)[N+](C)(C)CCO.
What is the InChIKey of acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is SGTKMAQSIXITST-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O3/c1-6(11)8-7(12)9(2,3)4-5-10/h10H,4-5H2,1-3H3/p+1.
What are the key properties of acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium?
acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 175.21 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylcarbamoyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 54304818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).