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

C8H9NNa4O10 — CID 139838372

IUPACtetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate
SMILESO.O=C([O-])CC(C(=O)[O-])N(O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO9.4Na.H2O/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);;;;;1H2/q;4*+1;/p-4
InChIKeyHAQZILSSBUFENT-UHFFFAOYSA-J
MW371.12 g/mol
LogP-19.61
Rot. Bonds8

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

tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate (PubChem CID 139838372) has the molecular formula C8H9NNa4O10 and a molecular weight of 371.12 g/mol. Its IUPAC name is tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate.

Molecular Properties

Compound Nametetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate
PubChem CID139838372
Molecular FormulaC8H9NNa4O10
Molecular Weight371.12 g/mol
Exact Mass370.98
IUPAC Nametetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate
SMILESO.O=C([O-])CC(C(=O)[O-])N(O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO9.4Na.H2O/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);;;;;1H2/q;4*+1;/p-4
InChIKeyHAQZILSSBUFENT-UHFFFAOYSA-J
XLogP-19.61
TPSA215.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.12
LogP ≤ 5-19.61
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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Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate?
The IUPAC name of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate (CID 139838372) is tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate.
What is the SMILES notation for tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate?
The canonical SMILES for tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate is O.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;hydrate?
The InChIKey is HAQZILSSBUFENT-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H11NO9.4Na.H2O/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);;;;;1H2/q;4*+1;/p-4.
What are the key properties of tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate?
tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate;hydrate has a molecular weight of 371.12 g/mol, XLogP of -19.61, 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;hydrate is sourced from PubChem (CID 139838372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).