tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate

C8H7NNa4O9 — CID 23109841

IUPACtetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate
SMILESO=C([O-])CC(C(=O)[O-])N(O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO9.4Na/c10-5(11)1-3(7(14)15)9(18)4(8(16)17)2-6(12)13;;;;/h3-4,18H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4
InChIKeyNGWOVIOEEGSBCX-UHFFFAOYSA-J
MW353.10 g/mol
LogP-18.79
Rot. Bonds8

About tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate

tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate (PubChem CID 23109841) has the molecular formula C8H7NNa4O9 and a molecular weight of 353.10 g/mol. Its IUPAC name is tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate.

Molecular Properties

Compound Nametetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate
PubChem CID23109841
Molecular FormulaC8H7NNa4O9
Molecular Weight353.10 g/mol
Exact Mass352.97
IUPAC Nametetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate
SMILESO=C([O-])CC(C(=O)[O-])N(O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO9.4Na/c10-5(11)1-3(7(14)15)9(18)4(8(16)17)2-6(12)13;;;;/h3-4,18H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4
InChIKeyNGWOVIOEEGSBCX-UHFFFAOYSA-J
XLogP-18.79
TPSA183.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 5-18.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Tetrasodium dicarboxymethyl aspartate
CID 71587123
Hydroxyiminodisuccinic acid
CID 18431362
(2S)-2-[2-carboxyethyl(hydroxy)amino]butanedioic acid
CID 54278522
(2S)-2,2'-(Hydroxyimino)bis(succinic acid)
CID 71352971
2-[2-Carboxyethyl(hydroxy)amino]butanedioic acid
CID 76116514
Sodium bis(1,2-dicarboxyethyl)azanide
CID 87584072
2-[(1-Carboxy-2-carboxylatoethyl)-hydroxyamino]butanedioate;iron(3+)
CID 88545654
CID 131878181
CID 131878181
Tetrapotassium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate
CID 139749146
tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate;hydrate
CID 139838368
Tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate
CID 139838372
Disodium;2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioate
CID 140246298

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate?
The IUPAC name of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate (CID 23109841) is tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate.
What is the SMILES notation for tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate?
The canonical SMILES for tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate is O=C([O-])CC(C(=O)[O-])N(O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate?
The InChIKey is NGWOVIOEEGSBCX-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H11NO9.4Na/c10-5(11)1-3(7(14)15)9(18)4(8(16)17)2-6(12)13;;;;/h3-4,18H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate?
tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate has a molecular weight of 353.10 g/mol, XLogP of -18.79, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate is sourced from PubChem (CID 23109841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).