ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate

C10H16N2O6 — CID 12029385

IUPACethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCNC(=O)C(=O)OCC
InChIInChI=1S/C10H16N2O6/c1-3-17-9(15)7(13)11-5-6-12-8(14)10(16)18-4-2/h3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJZMQHGGFCBIHNG-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.65
Rot. Bonds5

About ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate

ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate (PubChem CID 12029385) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate
PubChem CID12029385
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCNC(=O)C(=O)OCC
InChIInChI=1S/C10H16N2O6/c1-3-17-9(15)7(13)11-5-6-12-8(14)10(16)18-4-2/h3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJZMQHGGFCBIHNG-UHFFFAOYSA-N
XLogP-1.65
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate (CID 12029385) is ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCNC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate?
The InChIKey is JZMQHGGFCBIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-3-17-9(15)7(13)11-5-6-12-8(14)10(16)18-4-2/h3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate?
ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate has a molecular weight of 260.25 g/mol, XLogP of -1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethylamino]-2-oxoacetate is sourced from PubChem (CID 12029385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).