ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate

C10H16N2O5 — CID 86170501

IUPACethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate
SMILESCCOC(=O)CN(C(C)=O)C(=O)CNC(C)=O
InChIInChI=1S/C10H16N2O5/c1-4-17-10(16)6-12(8(3)14)9(15)5-11-7(2)13/h4-6H2,1-3H3,(H,11,13)
InChIKeyZZSQPFWZWUFUFI-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.94
Rot. Bonds5

About ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate

ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate (PubChem CID 86170501) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate
PubChem CID86170501
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Nameethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate
SMILESCCOC(=O)CN(C(C)=O)C(=O)CNC(C)=O
InChIInChI=1S/C10H16N2O5/c1-4-17-10(16)6-12(8(3)14)9(15)5-11-7(2)13/h4-6H2,1-3H3,(H,11,13)
InChIKeyZZSQPFWZWUFUFI-UHFFFAOYSA-N
XLogP-0.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate?
The IUPAC name of ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate (CID 86170501) is ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate?
The canonical SMILES for ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate is CCOC(=O)CN(C(C)=O)C(=O)CNC(C)=O.
What is the InChIKey of ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate?
The InChIKey is ZZSQPFWZWUFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-4-17-10(16)6-12(8(3)14)9(15)5-11-7(2)13/h4-6H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate?
ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate has a molecular weight of 244.25 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-acetamidoacetyl)-acetylamino]acetate is sourced from PubChem (CID 86170501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).