bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid

C9H22NO5+ — CID 57483599

IUPACbis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.C[N+](C)(CCO)CCO
InChIInChI=1S/C6H16NO2.C3H6O3/c1-7(2,3-5-8)4-6-9;1-2(4)3(5)6/h8-9H,3-6H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;
InChIKeyBAWGQUAUCPJEQZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.50
Rot. Bonds5

About bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid

bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid (PubChem CID 57483599) has the molecular formula C9H22NO5+ and a molecular weight of 224.28 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid
PubChem CID57483599
Molecular FormulaC9H22NO5+
Molecular Weight224.28 g/mol
Exact Mass224.15
IUPAC Namebis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.C[N+](C)(CCO)CCO
InChIInChI=1S/C6H16NO2.C3H6O3/c1-7(2,3-5-8)4-6-9;1-2(4)3(5)6/h8-9H,3-6H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;
InChIKeyBAWGQUAUCPJEQZ-UHFFFAOYSA-N
XLogP-1.50
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid?
The IUPAC name of bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid (CID 57483599) is bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid.
What is the SMILES notation for bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid?
The canonical SMILES for bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid is CC(O)C(=O)O.C[N+](C)(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid?
The InChIKey is BAWGQUAUCPJEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2.C3H6O3/c1-7(2,3-5-8)4-6-9;1-2(4)3(5)6/h8-9H,3-6H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;.
What are the key properties of bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid?
bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid has a molecular weight of 224.28 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid is sourced from PubChem (CID 57483599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).