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

C10H13N2Na3O8 — CID 9008

IUPACtrisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3
InChIKeyQZKRHPLGUJDVAR-UHFFFAOYSA-K
MW358.19 g/mol
LogP-15.06
Rot. Bonds11

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

trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate (PubChem CID 9008) has the molecular formula C10H13N2Na3O8 and a molecular weight of 358.19 g/mol. Its IUPAC name is trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate.

Molecular Properties

Compound Nametrisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
PubChem CID9008
Molecular FormulaC10H13N2Na3O8
Molecular Weight358.19 g/mol
Exact Mass358.04
IUPAC Nametrisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3
InChIKeyQZKRHPLGUJDVAR-UHFFFAOYSA-K
XLogP-15.06
TPSA164.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 5-15.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The IUPAC name of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate (CID 9008) is trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate.
What is the SMILES notation for trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The canonical SMILES for trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate is O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The InChIKey is QZKRHPLGUJDVAR-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3.
What are the key properties of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate has a molecular weight of 358.19 g/mol, XLogP of -15.06, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate is sourced from PubChem (CID 9008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).