tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate

C13H20N2O2 — CID 131734298

IUPACtert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
SMILESCCc1cc(N)ncc1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-5-9-6-11(14)15-8-10(9)7-12(16)17-13(2,3)4/h6,8H,5,7H2,1-4H3,(H2,14,15)
InChIKeyWKUYKKKDRDCDHA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate

tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate (PubChem CID 131734298) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
PubChem CID131734298
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
SMILESCCc1cc(N)ncc1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-5-9-6-11(14)15-8-10(9)7-12(16)17-13(2,3)4/h6,8H,5,7H2,1-4H3,(H2,14,15)
InChIKeyWKUYKKKDRDCDHA-UHFFFAOYSA-N
XLogP2.11
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate (CID 131734298) is tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate is CCc1cc(N)ncc1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate?
The InChIKey is WKUYKKKDRDCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-9-6-11(14)15-8-10(9)7-12(16)17-13(2,3)4/h6,8H,5,7H2,1-4H3,(H2,14,15).
What are the key properties of tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate?
tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate is sourced from PubChem (CID 131734298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).