tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate

C15H21NO3 — CID 20641874

IUPACtert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate
SMILESCc1ccc(C2CC2)n(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H21NO3/c1-10-5-8-12(11-6-7-11)16(14(10)18)9-13(17)19-15(2,3)4/h5,8,11H,6-7,9H2,1-4H3
InChIKeyGAPWNVQPGSLKPK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate

tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate (PubChem CID 20641874) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate
PubChem CID20641874
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate
SMILESCc1ccc(C2CC2)n(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H21NO3/c1-10-5-8-12(11-6-7-11)16(14(10)18)9-13(17)19-15(2,3)4/h5,8,11H,6-7,9H2,1-4H3
InChIKeyGAPWNVQPGSLKPK-UHFFFAOYSA-N
XLogP2.38
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate (CID 20641874) is tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate is Cc1ccc(C2CC2)n(CC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is GAPWNVQPGSLKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-5-8-12(11-6-7-11)16(14(10)18)9-13(17)19-15(2,3)4/h5,8,11H,6-7,9H2,1-4H3.
What are the key properties of tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate?
tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-cyclopropyl-3-methyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 20641874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).