ethyl 2-acetamido-2-acetyloxyacetate

C8H13NO5 — CID 15173152

IUPACethyl 2-acetamido-2-acetyloxyacetate
SMILESCCOC(=O)C(NC(C)=O)OC(C)=O
InChIInChI=1S/C8H13NO5/c1-4-13-8(12)7(9-5(2)10)14-6(3)11/h7H,4H2,1-3H3,(H,9,10)
InChIKeyYHYJNPQZIKYQNQ-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.43
Rot. Bonds4

About ethyl 2-acetamido-2-acetyloxyacetate

ethyl 2-acetamido-2-acetyloxyacetate (PubChem CID 15173152) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is ethyl 2-acetamido-2-acetyloxyacetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-acetyloxyacetate
PubChem CID15173152
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Nameethyl 2-acetamido-2-acetyloxyacetate
SMILESCCOC(=O)C(NC(C)=O)OC(C)=O
InChIInChI=1S/C8H13NO5/c1-4-13-8(12)7(9-5(2)10)14-6(3)11/h7H,4H2,1-3H3,(H,9,10)
InChIKeyYHYJNPQZIKYQNQ-UHFFFAOYSA-N
XLogP-0.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-acetyloxyacetate?
The IUPAC name of ethyl 2-acetamido-2-acetyloxyacetate (CID 15173152) is ethyl 2-acetamido-2-acetyloxyacetate.
What is the SMILES notation for ethyl 2-acetamido-2-acetyloxyacetate?
The canonical SMILES for ethyl 2-acetamido-2-acetyloxyacetate is CCOC(=O)C(NC(C)=O)OC(C)=O.
What is the InChIKey of ethyl 2-acetamido-2-acetyloxyacetate?
The InChIKey is YHYJNPQZIKYQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-13-8(12)7(9-5(2)10)14-6(3)11/h7H,4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 2-acetamido-2-acetyloxyacetate?
ethyl 2-acetamido-2-acetyloxyacetate has a molecular weight of 203.19 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-acetyloxyacetate is sourced from PubChem (CID 15173152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).