carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride

C5H13ClN2O2 — CID 87119763

IUPACcarbamoyl-(2-hydroxyethyl)-dimethylazanium chloride
SMILESC[N+](C)(CCO)C(N)=O.[Cl-]
InChIInChI=1S/C5H12N2O2.ClH/c1-7(2,3-4-8)5(6)9;/h8H,3-4H2,1-2H3,(H-,6,9);1H
InChIKeyILKWDMQTAAGJJD-UHFFFAOYSA-N
MW168.62 g/mol
LogP-3.86
Rot. Bonds2

About carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride

carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride (PubChem CID 87119763) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride.

Molecular Properties

Compound Namecarbamoyl-(2-hydroxyethyl)-dimethylazanium chloride
PubChem CID87119763
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Namecarbamoyl-(2-hydroxyethyl)-dimethylazanium chloride
SMILESC[N+](C)(CCO)C(N)=O.[Cl-]
InChIInChI=1S/C5H12N2O2.ClH/c1-7(2,3-4-8)5(6)9;/h8H,3-4H2,1-2H3,(H-,6,9);1H
InChIKeyILKWDMQTAAGJJD-UHFFFAOYSA-N
XLogP-3.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 5-3.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride?
The IUPAC name of carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride (CID 87119763) is carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride.
What is the SMILES notation for carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride?
The canonical SMILES for carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride is C[N+](C)(CCO)C(N)=O.[Cl-].
What is the InChIKey of carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride?
The InChIKey is ILKWDMQTAAGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-7(2,3-4-8)5(6)9;/h8H,3-4H2,1-2H3,(H-,6,9);1H.
What are the key properties of carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride?
carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride has a molecular weight of 168.62 g/mol, XLogP of -3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl-(2-hydroxyethyl)-dimethylazanium chloride is sourced from PubChem (CID 87119763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).