methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate

C15H24N2O3 — CID 79796345

IUPACmethyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate
SMILESCCC(N)Cc1ccc(OCC(C)(C)C(=O)OC)cn1
InChIInChI=1S/C15H24N2O3/c1-5-11(16)8-12-6-7-13(9-17-12)20-10-15(2,3)14(18)19-4/h6-7,9,11H,5,8,10,16H2,1-4H3
InChIKeyQOQUOYJOPGQAJB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.94
Rot. Bonds7

About methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate

methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate (PubChem CID 79796345) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate
PubChem CID79796345
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate
SMILESCCC(N)Cc1ccc(OCC(C)(C)C(=O)OC)cn1
InChIInChI=1S/C15H24N2O3/c1-5-11(16)8-12-6-7-13(9-17-12)20-10-15(2,3)14(18)19-4/h6-7,9,11H,5,8,10,16H2,1-4H3
InChIKeyQOQUOYJOPGQAJB-UHFFFAOYSA-N
XLogP1.94
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate with MolForge

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Related Compounds

methyl 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoate
CID 79620949
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide
CID 79790819
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
methyl 3-[2-(2-aminobutyl)-4-methylphenoxy]-2,2-dimethylpropanoate
CID 79621644
methyl 3-[(6-formyl-3-pyridinyl)oxy]-2,2-dimethylpropanoate
CID 79794322
methyl 3-[2-(2-aminobutyl)-4-bromophenoxy]-2,2-dimethylpropanoate
CID 79620900
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
methyl 3-[2-(2-aminobutyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79621529
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate (CID 79796345) is methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate is CCC(N)Cc1ccc(OCC(C)(C)C(=O)OC)cn1.
What is the InChIKey of methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate?
The InChIKey is QOQUOYJOPGQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-11(16)8-12-6-7-13(9-17-12)20-10-15(2,3)14(18)19-4/h6-7,9,11H,5,8,10,16H2,1-4H3.
What are the key properties of methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate?
methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate has a molecular weight of 280.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 79796345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).