sodium 2-[bis(carboxymethyl)amino]acetate

C6H8NNaO6 — CID 23674482

IUPACsodium 2-[bis(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C6H9NO6.Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+1/p-1
InChIKeyZAWGLAXBGYSUHN-UHFFFAOYSA-M
MW213.12 g/mol
LogP-5.79
Rot. Bonds6

About sodium 2-[bis(carboxymethyl)amino]acetate

sodium 2-[bis(carboxymethyl)amino]acetate (PubChem CID 23674482) has the molecular formula C6H8NNaO6 and a molecular weight of 213.12 g/mol. Its IUPAC name is sodium 2-[bis(carboxymethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[bis(carboxymethyl)amino]acetate
PubChem CID23674482
Molecular FormulaC6H8NNaO6
Molecular Weight213.12 g/mol
Exact Mass213.02
IUPAC Namesodium 2-[bis(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C6H9NO6.Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+1/p-1
InChIKeyZAWGLAXBGYSUHN-UHFFFAOYSA-M
XLogP-5.79
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 5-5.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[bis(carboxymethyl)amino]acetate?
The IUPAC name of sodium 2-[bis(carboxymethyl)amino]acetate (CID 23674482) is sodium 2-[bis(carboxymethyl)amino]acetate.
What is the SMILES notation for sodium 2-[bis(carboxymethyl)amino]acetate?
The canonical SMILES for sodium 2-[bis(carboxymethyl)amino]acetate is O=C([O-])CN(CC(=O)O)CC(=O)O.[Na+].
What is the InChIKey of sodium 2-[bis(carboxymethyl)amino]acetate?
The InChIKey is ZAWGLAXBGYSUHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO6.Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-[bis(carboxymethyl)amino]acetate?
sodium 2-[bis(carboxymethyl)amino]acetate has a molecular weight of 213.12 g/mol, XLogP of -5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[bis(carboxymethyl)amino]acetate is sourced from PubChem (CID 23674482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).