disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate

C6H6N2Na2O4 — CID 87597147

IUPACdisodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate
SMILESO=C([O-])/C=N/CC/N=C/C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H8N2O4.2Na/c9-5(10)3-7-1-2-8-4-6(11)12;;/h3-4H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/b7-3+,8-4+;;
InChIKeyDGQRNHZLAUINBI-SAVPNDSOSA-L
MW216.10 g/mol
LogP-9.36
Rot. Bonds5

About disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate

disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate (PubChem CID 87597147) has the molecular formula C6H6N2Na2O4 and a molecular weight of 216.10 g/mol. Its IUPAC name is disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate.

Molecular Properties

Compound Namedisodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate
PubChem CID87597147
Molecular FormulaC6H6N2Na2O4
Molecular Weight216.10 g/mol
Exact Mass216.01
IUPAC Namedisodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate
SMILESO=C([O-])/C=N/CC/N=C/C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H8N2O4.2Na/c9-5(10)3-7-1-2-8-4-6(11)12;;/h3-4H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/b7-3+,8-4+;;
InChIKeyDGQRNHZLAUINBI-SAVPNDSOSA-L
XLogP-9.36
TPSA104.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 5-9.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate?
The IUPAC name of disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate (CID 87597147) is disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate.
What is the SMILES notation for disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate?
The canonical SMILES for disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate is O=C([O-])/C=N/CC/N=C/C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate?
The InChIKey is DGQRNHZLAUINBI-SAVPNDSOSA-L. The full InChI is InChI=1S/C6H8N2O4.2Na/c9-5(10)3-7-1-2-8-4-6(11)12;;/h3-4H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/b7-3+,8-4+;;.
What are the key properties of disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate?
disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate has a molecular weight of 216.10 g/mol, XLogP of -9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-(carboxylatomethylideneamino)ethylimino]acetate is sourced from PubChem (CID 87597147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).