ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate

C11H16N2O4 — CID 138585490

IUPACethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate
SMILESCCOC(=O)COCCn1cccc(N)c1=O
InChIInChI=1S/C11H16N2O4/c1-2-17-10(14)8-16-7-6-13-5-3-4-9(12)11(13)15/h3-5H,2,6-8,12H2,1H3
InChIKeyRBSZJVFHTHFHHS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.01
Rot. Bonds6

About ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate

ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate (PubChem CID 138585490) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate
PubChem CID138585490
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate
SMILESCCOC(=O)COCCn1cccc(N)c1=O
InChIInChI=1S/C11H16N2O4/c1-2-17-10(14)8-16-7-6-13-5-3-4-9(12)11(13)15/h3-5H,2,6-8,12H2,1H3
InChIKeyRBSZJVFHTHFHHS-UHFFFAOYSA-N
XLogP0.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate (CID 138585490) is ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate is CCOC(=O)COCCn1cccc(N)c1=O.
What is the InChIKey of ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate?
The InChIKey is RBSZJVFHTHFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-17-10(14)8-16-7-6-13-5-3-4-9(12)11(13)15/h3-5H,2,6-8,12H2,1H3.
What are the key properties of ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate?
ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate has a molecular weight of 240.26 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-amino-2-oxo-1-pyridinyl)ethoxy]acetate is sourced from PubChem (CID 138585490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).