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

C10H14N2Na4O8 — CID 86567698

IUPACtetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC([O-])O)CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H17N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h7,13H,1-6H2,(H,15,16)(H,17,18)(H,19,20);;;;/q-1;4*+1/p-3
InChIKeyNTCJOPAIBVVHPS-UHFFFAOYSA-K
MW382.19 g/mol
LogP-19.47
Rot. Bonds11

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

tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate (PubChem CID 86567698) has the molecular formula C10H14N2Na4O8 and a molecular weight of 382.19 g/mol. Its IUPAC name is tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate.

Molecular Properties

Compound Nametetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate
PubChem CID86567698
Molecular FormulaC10H14N2Na4O8
Molecular Weight382.19 g/mol
Exact Mass382.03
IUPAC Nametetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC([O-])O)CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H17N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h7,13H,1-6H2,(H,15,16)(H,17,18)(H,19,20);;;;/q-1;4*+1/p-3
InChIKeyNTCJOPAIBVVHPS-UHFFFAOYSA-K
XLogP-19.47
TPSA170.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 5-19.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[carboxylatomethyl-(2-methoxy-2-oxoethyl)amino]ethyl-[2-[(2-hydroxy-2-oxidoethyl)-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetate
CID 143574369
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 18401221
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);trihydrate
CID 71306809
copper;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
CID 178185986
tris(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(gold(3+))
CID 173205311
tetracalcium bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate)
CID 157417440
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;palladium
CID 15436232
triazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 139597842

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate?
The IUPAC name of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate (CID 86567698) is tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate.
What is the SMILES notation for tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate?
The canonical SMILES for tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)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-(2-hydroxy-2-oxidoethyl)amino]acetate?
The InChIKey is NTCJOPAIBVVHPS-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H17N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h7,13H,1-6H2,(H,15,16)(H,17,18)(H,19,20);;;;/q-1;4*+1/p-3.
What are the key properties of tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate?
tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate has a molecular weight of 382.19 g/mol, XLogP of -19.47, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate is sourced from PubChem (CID 86567698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).