tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate

C13H18N2O4 — CID 74766025

IUPACtert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
SMILESCC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C13H18N2O4/c1-9(16)14-10-6-5-7-15(12(10)18)8-11(17)19-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyHHWFKMCELTVMGT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.15
Rot. Bonds3

About tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate

tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate (PubChem CID 74766025) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
PubChem CID74766025
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nametert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
SMILESCC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C13H18N2O4/c1-9(16)14-10-6-5-7-15(12(10)18)8-11(17)19-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyHHWFKMCELTVMGT-UHFFFAOYSA-N
XLogP1.15
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate (CID 74766025) is tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate is CC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
The InChIKey is HHWFKMCELTVMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)14-10-6-5-7-15(12(10)18)8-11(17)19-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate?
tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate has a molecular weight of 266.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 74766025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).