bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate

C9H21NO5 — CID 91996815

IUPACbis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate
SMILESCC(=O)[O-].CC(O)C[NH+](CCO)CCO
InChIInChI=1S/C7H17NO3.C2H4O2/c1-7(11)6-8(2-4-9)3-5-10;1-2(3)4/h7,9-11H,2-6H2,1H3;1H3,(H,3,4)
InChIKeyIHZIHLLQASIWGI-UHFFFAOYSA-N
MW223.27 g/mol
LogP-4.01
Rot. Bonds6

About bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate

bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate (PubChem CID 91996815) has the molecular formula C9H21NO5 and a molecular weight of 223.27 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate
PubChem CID91996815
Molecular FormulaC9H21NO5
Molecular Weight223.27 g/mol
Exact Mass223.14
IUPAC Namebis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate
SMILESCC(=O)[O-].CC(O)C[NH+](CCO)CCO
InChIInChI=1S/C7H17NO3.C2H4O2/c1-7(11)6-8(2-4-9)3-5-10;1-2(3)4/h7,9-11H,2-6H2,1H3;1H3,(H,3,4)
InChIKeyIHZIHLLQASIWGI-UHFFFAOYSA-N
XLogP-4.01
TPSA105.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-4.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate?
The IUPAC name of bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate (CID 91996815) is bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate.
What is the SMILES notation for bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate?
The canonical SMILES for bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate is CC(=O)[O-].CC(O)C[NH+](CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate?
The InChIKey is IHZIHLLQASIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3.C2H4O2/c1-7(11)6-8(2-4-9)3-5-10;1-2(3)4/h7,9-11H,2-6H2,1H3;1H3,(H,3,4).
What are the key properties of bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate?
bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate has a molecular weight of 223.27 g/mol, XLogP of -4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-(2-hydroxypropyl)azanium acetate is sourced from PubChem (CID 91996815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).