2-[bis(2-hydroxyethyl)azaniumyl]acetate

C6H13NO4 — CID 5256512

IUPAC2-[bis(2-hydroxyethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](CCO)CCO
InChIInChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKeyFSVCELGFZIQNCK-UHFFFAOYSA-N
MW163.17 g/mol
LogP-4.39
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)azaniumyl]acetate

2-[bis(2-hydroxyethyl)azaniumyl]acetate (PubChem CID 5256512) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)azaniumyl]acetate
PubChem CID5256512
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-[bis(2-hydroxyethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](CCO)CCO
InChIInChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKeyFSVCELGFZIQNCK-UHFFFAOYSA-N
XLogP-4.39
TPSA85.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-4.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)azaniumyl]acetate?
The IUPAC name of 2-[bis(2-hydroxyethyl)azaniumyl]acetate (CID 5256512) is 2-[bis(2-hydroxyethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)azaniumyl]acetate?
The canonical SMILES for 2-[bis(2-hydroxyethyl)azaniumyl]acetate is O=C([O-])C[NH+](CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)azaniumyl]acetate?
The InChIKey is FSVCELGFZIQNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11).
What are the key properties of 2-[bis(2-hydroxyethyl)azaniumyl]acetate?
2-[bis(2-hydroxyethyl)azaniumyl]acetate has a molecular weight of 163.17 g/mol, XLogP of -4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)azaniumyl]acetate is sourced from PubChem (CID 5256512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).