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

C10H12N2Na4O8 — CID 6144

IUPACtetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.4Na/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;4*+1/p-4
InChIKeyUEUXEKPTXMALOB-UHFFFAOYSA-J
MW380.17 g/mol
LogP-19.39
Rot. Bonds11

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

tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate (PubChem CID 6144) has the molecular formula C10H12N2Na4O8 and a molecular weight of 380.17 g/mol. Its IUPAC name is tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Nametetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
PubChem CID6144
Molecular FormulaC10H12N2Na4O8
Molecular Weight380.17 g/mol
Exact Mass380.02
IUPAC Nametetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.4Na/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;4*+1/p-4
InChIKeyUEUXEKPTXMALOB-UHFFFAOYSA-J
XLogP-19.39
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 5-19.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Ethylenediaminetetraacetic Acid
CID 6049
Edetate Calcium Disodium Anhydrous
CID 6093170
Diethylenetriaminepentaacetic acid
CID 3053
Edetate Disodium
CID 636371
Sodium Feredetate
CID 27461
EDTA disodium salt
CID 8759
Pentetate Zinc Trisodium
CID 164209
Pentetate Calcium Trisodium
CID 25513
Disodium EDTA
CID 9839867
Ethylenediaminetetraacetic acid disodium salt
CID 9902403
Disodium ethylenediaminetetraacetate
CID 13020083
Edta disodium
CID 44120005

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate?
The IUPAC name of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate (CID 6144) is tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate.
What is the SMILES notation for tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate?
The canonical SMILES for tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate is O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate?
The InChIKey is UEUXEKPTXMALOB-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H16N2O8.4Na/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;4*+1/p-4.
What are the key properties of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate?
tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate has a molecular weight of 380.17 g/mol, XLogP of -19.39, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 6144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).