diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate

C11H20N2O5 — CID 54182197

IUPACdiethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)CN(C)C)C(=O)OCC
InChIInChI=1S/C11H20N2O5/c1-5-17-10(15)9(11(16)18-6-2)12-8(14)7-13(3)4/h9H,5-7H2,1-4H3,(H,12,14)
InChIKeyPCOXUBXGOBQZIG-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.84
Rot. Bonds7

About diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate

diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate (PubChem CID 54182197) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate
PubChem CID54182197
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namediethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)CN(C)C)C(=O)OCC
InChIInChI=1S/C11H20N2O5/c1-5-17-10(15)9(11(16)18-6-2)12-8(14)7-13(3)4/h9H,5-7H2,1-4H3,(H,12,14)
InChIKeyPCOXUBXGOBQZIG-UHFFFAOYSA-N
XLogP-0.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate?
The IUPAC name of diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate (CID 54182197) is diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate.
What is the SMILES notation for diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate?
The canonical SMILES for diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate is CCOC(=O)C(NC(=O)CN(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate?
The InChIKey is PCOXUBXGOBQZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-17-10(15)9(11(16)18-6-2)12-8(14)7-13(3)4/h9H,5-7H2,1-4H3,(H,12,14).
What are the key properties of diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate?
diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate has a molecular weight of 260.29 g/mol, XLogP of -0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate is sourced from PubChem (CID 54182197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).