2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate

C14H19N3O8 — CID 16760401

IUPAC2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate
SMILESO=C([O-])C[NH+](CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1
InChIInChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)
InChIKeyRAZLJUXJEOEYAM-UHFFFAOYSA-N
MW357.32 g/mol
LogP-5.61
Rot. Bonds8

About 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate

2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate (PubChem CID 16760401) has the molecular formula C14H19N3O8 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate.

Molecular Properties

Compound Name2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate
PubChem CID16760401
Molecular FormulaC14H19N3O8
Molecular Weight357.32 g/mol
Exact Mass357.12
IUPAC Name2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate
SMILESO=C([O-])C[NH+](CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1
InChIInChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)
InChIKeyRAZLJUXJEOEYAM-UHFFFAOYSA-N
XLogP-5.61
TPSA137.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 5-5.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate?
The IUPAC name of 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate (CID 16760401) is 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate.
What is the SMILES notation for 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate?
The canonical SMILES for 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate is O=C([O-])C[NH+](CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1.
What is the InChIKey of 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate?
The InChIKey is RAZLJUXJEOEYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19).
What are the key properties of 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate?
2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate has a molecular weight of 357.32 g/mol, XLogP of -5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]azaniumyl]acetate is sourced from PubChem (CID 16760401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).