tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate

C14H22N2O4 — CID 156635722

IUPACtert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate
SMILESCN(CCO)c1cccc(OCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)10-19-12-7-5-6-11(15-12)16(4)8-9-17/h5-7,17H,8-10H2,1-4H3
InChIKeyMHZAHVCXRQJMIG-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.23
Rot. Bonds6

About tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate

tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate (PubChem CID 156635722) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate
PubChem CID156635722
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate
SMILESCN(CCO)c1cccc(OCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)10-19-12-7-5-6-11(15-12)16(4)8-9-17/h5-7,17H,8-10H2,1-4H3
InChIKeyMHZAHVCXRQJMIG-UHFFFAOYSA-N
XLogP1.23
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate?
The IUPAC name of tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate (CID 156635722) is tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate?
The canonical SMILES for tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate is CN(CCO)c1cccc(OCC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate?
The InChIKey is MHZAHVCXRQJMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,3)20-13(18)10-19-12-7-5-6-11(15-12)16(4)8-9-17/h5-7,17H,8-10H2,1-4H3.
What are the key properties of tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate?
tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate has a molecular weight of 282.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 156635722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).