tris(carboxymethyl)-(2-hydroxyethyl)azanium

C8H14NO7+ — CID 10331654

IUPACtris(carboxymethyl)-(2-hydroxyethyl)azanium
SMILESO=C(O)C[N+](CCO)(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO7/c10-2-1-9(3-6(11)12,4-7(13)14)5-8(15)16/h10H,1-5H2,(H2-,11,12,13,14,15,16)/p+1
InChIKeyKDOVSPNVJQKQMT-UHFFFAOYSA-O
MW236.20 g/mol
LogP-1.95
Rot. Bonds8

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

tris(carboxymethyl)-(2-hydroxyethyl)azanium (PubChem CID 10331654) has the molecular formula C8H14NO7+ and a molecular weight of 236.20 g/mol. Its IUPAC name is tris(carboxymethyl)-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Nametris(carboxymethyl)-(2-hydroxyethyl)azanium
PubChem CID10331654
Molecular FormulaC8H14NO7+
Molecular Weight236.20 g/mol
Exact Mass236.08
IUPAC Nametris(carboxymethyl)-(2-hydroxyethyl)azanium
SMILESO=C(O)C[N+](CCO)(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO7/c10-2-1-9(3-6(11)12,4-7(13)14)5-8(15)16/h10H,1-5H2,(H2-,11,12,13,14,15,16)/p+1
InChIKeyKDOVSPNVJQKQMT-UHFFFAOYSA-O
XLogP-1.95
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 5-1.95
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
bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
CID 126615249
azane;tetrakis(carboxymethyl)azanium
CID 87323838
tris(2-hydroxyethyl)-[2-oxo-2-[2-[tris(2-hydroxyethyl)azaniumyl]acetyl]oxyethyl]azanium
CID 91021678
tetrakis(2-hydroxyethyl)azanium bromide
CID 177465102
hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
carboxymethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
CID 101283302
dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
CID 87195022
azane;2-[tris(carboxymethyl)azaniumyl]acetate;hydrate
CID 173231263
carboxymethyl-(10-hydroxydecyl)-dimethylazanium
CID 54427738
14-[13-carboxytridecyl-bis(2-hydroxyethyl)azaniumyl]tetradecanoate
CID 173066008
sodium 2-[carboxymethyl-[2-[[(E)-hept-5-enoyl]amino]ethyl]-(2-hydroxyethyl)azaniumyl]acetate
CID 101280649

Frequently Asked Questions

What is the IUPAC name of tris(carboxymethyl)-(2-hydroxyethyl)azanium?
The IUPAC name of tris(carboxymethyl)-(2-hydroxyethyl)azanium (CID 10331654) is tris(carboxymethyl)-(2-hydroxyethyl)azanium.
What is the SMILES notation for tris(carboxymethyl)-(2-hydroxyethyl)azanium?
The canonical SMILES for tris(carboxymethyl)-(2-hydroxyethyl)azanium is O=C(O)C[N+](CCO)(CC(=O)O)CC(=O)O.
What is the InChIKey of tris(carboxymethyl)-(2-hydroxyethyl)azanium?
The InChIKey is KDOVSPNVJQKQMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO7/c10-2-1-9(3-6(11)12,4-7(13)14)5-8(15)16/h10H,1-5H2,(H2-,11,12,13,14,15,16)/p+1.
What are the key properties of tris(carboxymethyl)-(2-hydroxyethyl)azanium?
tris(carboxymethyl)-(2-hydroxyethyl)azanium has a molecular weight of 236.20 g/mol, XLogP of -1.95, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carboxymethyl)-(2-hydroxyethyl)azanium is sourced from PubChem (CID 10331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).