tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate

C13H20N2O3 — CID 22943473

IUPACtert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate
SMILESCCc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-5-9-6-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h6-7H,5,8,14H2,1-4H3
InChIKeyNXPWMJGGCNNQSN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate

tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate (PubChem CID 22943473) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate
PubChem CID22943473
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate
SMILESCCc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-5-9-6-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h6-7H,5,8,14H2,1-4H3
InChIKeyNXPWMJGGCNNQSN-UHFFFAOYSA-N
XLogP1.33
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.33
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-ethyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate (CID 22943473) is tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate is CCc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is NXPWMJGGCNNQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-9-6-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h6-7H,5,8,14H2,1-4H3.
What are the key properties of tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate?
tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 252.31 g/mol, XLogP of 1.33, 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-amino-6-ethyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 22943473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).