tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate

C15H24N2O3 — CID 22943474

IUPACtert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate
SMILESCC(C)Cc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)8-11-6-7-12(16)14(19)17(11)9-13(18)20-15(3,4)5/h6-7,10H,8-9,16H2,1-5H3
InChIKeyBHYYJWFQNYTPHR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate

tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate (PubChem CID 22943474) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate
PubChem CID22943474
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate
SMILESCC(C)Cc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)8-11-6-7-12(16)14(19)17(11)9-13(18)20-15(3,4)5/h6-7,10H,8-9,16H2,1-5H3
InChIKeyBHYYJWFQNYTPHR-UHFFFAOYSA-N
XLogP1.97
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.97
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-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate (CID 22943474) is tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate is CC(C)Cc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is BHYYJWFQNYTPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)8-11-6-7-12(16)14(19)17(11)9-13(18)20-15(3,4)5/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate?
tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 280.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 22943474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).