disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride

C8H17NNa2O4 — CID 174575429

IUPACdisodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride
SMILESCCNCC(=O)OC(=O)COCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H15NO4.2Na.2H/c1-3-9-5-7(10)13-8(11)6-12-4-2;;;;/h9H,3-6H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyIYWXJGRDDMVDPJ-UHFFFAOYSA-N
MW237.21 g/mol
LogP-6.06
Rot. Bonds6

About disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride

disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride (PubChem CID 174575429) has the molecular formula C8H17NNa2O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride.

Molecular Properties

Compound Namedisodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride
PubChem CID174575429
Molecular FormulaC8H17NNa2O4
Molecular Weight237.21 g/mol
Exact Mass237.10
IUPAC Namedisodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride
SMILESCCNCC(=O)OC(=O)COCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H15NO4.2Na.2H/c1-3-9-5-7(10)13-8(11)6-12-4-2;;;;/h9H,3-6H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyIYWXJGRDDMVDPJ-UHFFFAOYSA-N
XLogP-6.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-6.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride?
The IUPAC name of disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride (CID 174575429) is disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride.
What is the SMILES notation for disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride?
The canonical SMILES for disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride is CCNCC(=O)OC(=O)COCC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride?
The InChIKey is IYWXJGRDDMVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.2Na.2H/c1-3-9-5-7(10)13-8(11)6-12-4-2;;;;/h9H,3-6H2,1-2H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride?
disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride has a molecular weight of 237.21 g/mol, XLogP of -6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2-ethoxyacetyl) 2-(ethylamino)acetate;hydride is sourced from PubChem (CID 174575429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).