diethyl 2-[(2-formamidoacetyl)amino]propanedioate

C10H16N2O6 — CID 15053735

IUPACdiethyl 2-[(2-formamidoacetyl)amino]propanedioate
SMILESCCOC(=O)C(NC(=O)CNC=O)C(=O)OCC
InChIInChI=1S/C10H16N2O6/c1-3-17-9(15)8(10(16)18-4-2)12-7(14)5-11-6-13/h6,8H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyMZNYMKPTBKHXFY-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.66
Rot. Bonds8

About diethyl 2-[(2-formamidoacetyl)amino]propanedioate

diethyl 2-[(2-formamidoacetyl)amino]propanedioate (PubChem CID 15053735) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is diethyl 2-[(2-formamidoacetyl)amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-formamidoacetyl)amino]propanedioate
PubChem CID15053735
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Namediethyl 2-[(2-formamidoacetyl)amino]propanedioate
SMILESCCOC(=O)C(NC(=O)CNC=O)C(=O)OCC
InChIInChI=1S/C10H16N2O6/c1-3-17-9(15)8(10(16)18-4-2)12-7(14)5-11-6-13/h6,8H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyMZNYMKPTBKHXFY-UHFFFAOYSA-N
XLogP-1.66
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-formamidoacetyl)amino]propanedioate?
The IUPAC name of diethyl 2-[(2-formamidoacetyl)amino]propanedioate (CID 15053735) is diethyl 2-[(2-formamidoacetyl)amino]propanedioate.
What is the SMILES notation for diethyl 2-[(2-formamidoacetyl)amino]propanedioate?
The canonical SMILES for diethyl 2-[(2-formamidoacetyl)amino]propanedioate is CCOC(=O)C(NC(=O)CNC=O)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-formamidoacetyl)amino]propanedioate?
The InChIKey is MZNYMKPTBKHXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-3-17-9(15)8(10(16)18-4-2)12-7(14)5-11-6-13/h6,8H,3-5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of diethyl 2-[(2-formamidoacetyl)amino]propanedioate?
diethyl 2-[(2-formamidoacetyl)amino]propanedioate has a molecular weight of 260.25 g/mol, XLogP of -1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-formamidoacetyl)amino]propanedioate is sourced from PubChem (CID 15053735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).