sodium 2-[acetamido(carboxymethyl)amino]acetate

C6H9N2NaO5 — CID 141296642

IUPACsodium 2-[acetamido(carboxymethyl)amino]acetate
SMILESCC(=O)NN(CC(=O)[O-])CC(=O)O.[Na+]
InChIInChI=1S/C6H10N2O5.Na/c1-4(9)7-8(2-5(10)11)3-6(12)13;/h2-3H2,1H3,(H,7,9)(H,10,11)(H,12,13);/q;+1/p-1
InChIKeyQAYAWVAZJBGUBD-UHFFFAOYSA-M
MW212.14 g/mol
LogP-5.82
Rot. Bonds5

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

sodium 2-[acetamido(carboxymethyl)amino]acetate (PubChem CID 141296642) has the molecular formula C6H9N2NaO5 and a molecular weight of 212.14 g/mol. Its IUPAC name is sodium 2-[acetamido(carboxymethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[acetamido(carboxymethyl)amino]acetate
PubChem CID141296642
Molecular FormulaC6H9N2NaO5
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Namesodium 2-[acetamido(carboxymethyl)amino]acetate
SMILESCC(=O)NN(CC(=O)[O-])CC(=O)O.[Na+]
InChIInChI=1S/C6H10N2O5.Na/c1-4(9)7-8(2-5(10)11)3-6(12)13;/h2-3H2,1H3,(H,7,9)(H,10,11)(H,12,13);/q;+1/p-1
InChIKeyQAYAWVAZJBGUBD-UHFFFAOYSA-M
XLogP-5.82
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-5.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[acetamido(carboxymethyl)amino]acetate?
The IUPAC name of sodium 2-[acetamido(carboxymethyl)amino]acetate (CID 141296642) is sodium 2-[acetamido(carboxymethyl)amino]acetate.
What is the SMILES notation for sodium 2-[acetamido(carboxymethyl)amino]acetate?
The canonical SMILES for sodium 2-[acetamido(carboxymethyl)amino]acetate is CC(=O)NN(CC(=O)[O-])CC(=O)O.[Na+].
What is the InChIKey of sodium 2-[acetamido(carboxymethyl)amino]acetate?
The InChIKey is QAYAWVAZJBGUBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10N2O5.Na/c1-4(9)7-8(2-5(10)11)3-6(12)13;/h2-3H2,1H3,(H,7,9)(H,10,11)(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-[acetamido(carboxymethyl)amino]acetate?
sodium 2-[acetamido(carboxymethyl)amino]acetate has a molecular weight of 212.14 g/mol, XLogP of -5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[acetamido(carboxymethyl)amino]acetate is sourced from PubChem (CID 141296642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).