ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate

C11H14N2O4 — CID 10444200

IUPACethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cccc(NC(C)=O)c1=O
InChIInChI=1S/C11H14N2O4/c1-3-17-10(15)7-13-6-4-5-9(11(13)16)12-8(2)14/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyCTPNXSKPIOSRLA-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.37
Rot. Bonds4

About ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate

ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate (PubChem CID 10444200) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
PubChem CID10444200
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cccc(NC(C)=O)c1=O
InChIInChI=1S/C11H14N2O4/c1-3-17-10(15)7-13-6-4-5-9(11(13)16)12-8(2)14/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyCTPNXSKPIOSRLA-UHFFFAOYSA-N
XLogP0.37
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate (CID 10444200) is ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1cccc(NC(C)=O)c1=O.
What is the InChIKey of ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
The InChIKey is CTPNXSKPIOSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-17-10(15)7-13-6-4-5-9(11(13)16)12-8(2)14/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate has a molecular weight of 238.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 10444200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).