trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate

C6H8NNa3O7 — CID 29194

IUPACtrisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate
SMILESO.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3
InChIKeyHERBOKBJKVUALN-UHFFFAOYSA-K
MW275.10 g/mol
LogP-15.27
Rot. Bonds6

About trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate

trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate (PubChem CID 29194) has the molecular formula C6H8NNa3O7 and a molecular weight of 275.10 g/mol. Its IUPAC name is trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate.

Molecular Properties

Compound Nametrisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate
PubChem CID29194
Molecular FormulaC6H8NNa3O7
Molecular Weight275.10 g/mol
Exact Mass275.00
IUPAC Nametrisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate
SMILESO.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3
InChIKeyHERBOKBJKVUALN-UHFFFAOYSA-K
XLogP-15.27
TPSA155.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 5-15.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate?
The IUPAC name of trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate (CID 29194) is trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate.
What is the SMILES notation for trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate?
The canonical SMILES for trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate is O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate?
The InChIKey is HERBOKBJKVUALN-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3.
What are the key properties of trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate?
trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate has a molecular weight of 275.10 g/mol, XLogP of -15.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate is sourced from PubChem (CID 29194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).