methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate

C12H18N2O3 — CID 79168742

IUPACmethyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
SMILESCOC(=O)CCOc1ccc(C)nc1CCN
InChIInChI=1S/C12H18N2O3/c1-9-3-4-11(10(14-9)5-7-13)17-8-6-12(15)16-2/h3-4H,5-8,13H2,1-2H3
InChIKeyJIEHKJZUEOPANP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.83
Rot. Bonds6

About methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate

methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate (PubChem CID 79168742) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
PubChem CID79168742
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
SMILESCOC(=O)CCOc1ccc(C)nc1CCN
InChIInChI=1S/C12H18N2O3/c1-9-3-4-11(10(14-9)5-7-13)17-8-6-12(15)16-2/h3-4H,5-8,13H2,1-2H3
InChIKeyJIEHKJZUEOPANP-UHFFFAOYSA-N
XLogP0.83
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
CID 106728413
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate (CID 79168742) is methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate is COC(=O)CCOc1ccc(C)nc1CCN.
What is the InChIKey of methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
The InChIKey is JIEHKJZUEOPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-3-4-11(10(14-9)5-7-13)17-8-6-12(15)16-2/h3-4H,5-8,13H2,1-2H3.
What are the key properties of methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate is sourced from PubChem (CID 79168742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).