sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium

C2H4N2NaO4+ — CID 135502192

IUPACsodium (E)-carboxymethyl-hydroxyimino-oxidoazanium
SMILESO=C(O)C/[N+]([O-])=N\O.[Na+]
InChIInChI=1S/C2H4N2O4.Na/c5-2(6)1-4(8)3-7;/h7H,1H2,(H,5,6);/q;+1/b4-3+;
InChIKeyNBYORQIDPBSYBK-BJILWQEISA-N
MW143.05 g/mol
LogP-3.57
Rot. Bonds2

About sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium

sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium (PubChem CID 135502192) has the molecular formula C2H4N2NaO4+ and a molecular weight of 143.05 g/mol. Its IUPAC name is sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Namesodium (E)-carboxymethyl-hydroxyimino-oxidoazanium
PubChem CID135502192
Molecular FormulaC2H4N2NaO4+
Molecular Weight143.05 g/mol
Exact Mass143.01
IUPAC Namesodium (E)-carboxymethyl-hydroxyimino-oxidoazanium
SMILESO=C(O)C/[N+]([O-])=N\O.[Na+]
InChIInChI=1S/C2H4N2O4.Na/c5-2(6)1-4(8)3-7;/h7H,1H2,(H,5,6);/q;+1/b4-3+;
InChIKeyNBYORQIDPBSYBK-BJILWQEISA-N
XLogP-3.57
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.05
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium?
The IUPAC name of sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium (CID 135502192) is sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium.
What is the SMILES notation for sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium?
The canonical SMILES for sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium is O=C(O)C/[N+]([O-])=N\O.[Na+].
What is the InChIKey of sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium?
The InChIKey is NBYORQIDPBSYBK-BJILWQEISA-N. The full InChI is InChI=1S/C2H4N2O4.Na/c5-2(6)1-4(8)3-7;/h7H,1H2,(H,5,6);/q;+1/b4-3+;.
What are the key properties of sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium?
sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium has a molecular weight of 143.05 g/mol, XLogP of -3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (E)-carboxymethyl-hydroxyimino-oxidoazanium is sourced from PubChem (CID 135502192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).