bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium

C10H20NO6+ — CID 126615249

IUPACbis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
SMILESO=C(O)CC[N+](CCO)(CCO)CCC(=O)O
InChIInChI=1S/C10H19NO6/c12-7-5-11(6-8-13,3-1-9(14)15)4-2-10(16)17/h12-13H,1-8H2,(H-,14,15,16,17)/p+1
InChIKeyWIPRMMZVKNHQQO-UHFFFAOYSA-O
MW250.27 g/mol
LogP-1.26
Rot. Bonds10

About bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium

bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium (PubChem CID 126615249) has the molecular formula C10H20NO6+ and a molecular weight of 250.27 g/mol. Its IUPAC name is bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
PubChem CID126615249
Molecular FormulaC10H20NO6+
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Namebis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
SMILESO=C(O)CC[N+](CCO)(CCO)CCC(=O)O
InChIInChI=1S/C10H19NO6/c12-7-5-11(6-8-13,3-1-9(14)15)4-2-10(16)17/h12-13H,1-8H2,(H-,14,15,16,17)/p+1
InChIKeyWIPRMMZVKNHQQO-UHFFFAOYSA-O
XLogP-1.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-1.26
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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Related Compounds

2-carboxyethyl-tris(2-hydroxyethyl)azanium
CID 88894350
tris(carboxymethyl)-(2-hydroxyethyl)azanium
CID 10331654
14-[13-carboxytridecyl-bis(2-hydroxyethyl)azaniumyl]tetradecanoate
CID 173066008
hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
tetrakis(2-hydroxyethyl)azanium bromide
CID 177465102
2-carboxyethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
CID 101283358
calcium bis(3-[2-carboxyethyl-(2-hydroxyethyl)-[(E)-oct-4-enyl]azaniumyl]propanoate)
CID 101281806
2-carboxyethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-5-enoxy]ethyl]azanium
CID 101283359
dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
CID 87195022
hexanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 163649131
potassium 3-[2-carboxyethyl-[2-[[(E)-hept-5-enoyl]amino]ethyl]-(2-hydroxyethyl)azaniumyl]propanoate
CID 101280694
potassium 3-[2-carboxyethyl-[2-(hept-6-enoylamino)ethyl]-(2-hydroxyethyl)azaniumyl]propanoate
CID 101280695

Frequently Asked Questions

What is the IUPAC name of bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium?
The IUPAC name of bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium (CID 126615249) is bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium.
What is the SMILES notation for bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium?
The canonical SMILES for bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium is O=C(O)CC[N+](CCO)(CCO)CCC(=O)O.
What is the InChIKey of bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium?
The InChIKey is WIPRMMZVKNHQQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO6/c12-7-5-11(6-8-13,3-1-9(14)15)4-2-10(16)17/h12-13H,1-8H2,(H-,14,15,16,17)/p+1.
What are the key properties of bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium?
bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium has a molecular weight of 250.27 g/mol, XLogP of -1.26, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 126615249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).