2-carboxyethyl-tris(2-hydroxyethyl)azanium

C9H20NO5+ — CID 88894350

IUPAC2-carboxyethyl-tris(2-hydroxyethyl)azanium
SMILESO=C(O)CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C9H19NO5/c11-6-3-10(4-7-12,5-8-13)2-1-9(14)15/h11-13H,1-8H2/p+1
InChIKeyLBOKAPCDYLHYKR-UHFFFAOYSA-O
MW222.26 g/mol
LogP-1.75
Rot. Bonds9

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

2-carboxyethyl-tris(2-hydroxyethyl)azanium (PubChem CID 88894350) has the molecular formula C9H20NO5+ and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-carboxyethyl-tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-carboxyethyl-tris(2-hydroxyethyl)azanium
PubChem CID88894350
Molecular FormulaC9H20NO5+
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name2-carboxyethyl-tris(2-hydroxyethyl)azanium
SMILESO=C(O)CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C9H19NO5/c11-6-3-10(4-7-12,5-8-13)2-1-9(14)15/h11-13H,1-8H2/p+1
InChIKeyLBOKAPCDYLHYKR-UHFFFAOYSA-O
XLogP-1.75
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-1.75
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

bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
CID 126615249
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
calcium bis(3-[2-carboxyethyl-(2-hydroxyethyl)-[(E)-oct-4-enyl]azaniumyl]propanoate)
CID 101281806
2-carboxyethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
CID 101283358
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 2-carboxyethyl-tris(2-hydroxyethyl)azanium?
The IUPAC name of 2-carboxyethyl-tris(2-hydroxyethyl)azanium (CID 88894350) is 2-carboxyethyl-tris(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-carboxyethyl-tris(2-hydroxyethyl)azanium?
The canonical SMILES for 2-carboxyethyl-tris(2-hydroxyethyl)azanium is O=C(O)CC[N+](CCO)(CCO)CCO.
What is the InChIKey of 2-carboxyethyl-tris(2-hydroxyethyl)azanium?
The InChIKey is LBOKAPCDYLHYKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO5/c11-6-3-10(4-7-12,5-8-13)2-1-9(14)15/h11-13H,1-8H2/p+1.
What are the key properties of 2-carboxyethyl-tris(2-hydroxyethyl)azanium?
2-carboxyethyl-tris(2-hydroxyethyl)azanium has a molecular weight of 222.26 g/mol, XLogP of -1.75, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethyl-tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 88894350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).