tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate

C11H16N2O3 — CID 91704479

IUPACtert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate
SMILESCC(C)(C)OC(=O)COc1cccnc1N
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-9(14)7-15-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3,(H2,12,13)
InChIKeyHIIBYBQYNINRKH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.38
Rot. Bonds3

About tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate

tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate (PubChem CID 91704479) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate
PubChem CID91704479
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate
SMILESCC(C)(C)OC(=O)COc1cccnc1N
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-9(14)7-15-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3,(H2,12,13)
InChIKeyHIIBYBQYNINRKH-UHFFFAOYSA-N
XLogP1.38
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate?
The IUPAC name of tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate (CID 91704479) is tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate?
The canonical SMILES for tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate is CC(C)(C)OC(=O)COc1cccnc1N.
What is the InChIKey of tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate?
The InChIKey is HIIBYBQYNINRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)16-9(14)7-15-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate?
tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate has a molecular weight of 224.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-3-pyridinyl)oxy]acetate is sourced from PubChem (CID 91704479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).