methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate

C11H16N2O3 — CID 63986668

IUPACmethyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-8(11(14)16-3)12-7-9-5-4-6-10(13-9)15-2/h4-6,8,12H,7H2,1-3H3
InChIKeyQLXQXTURJRFZMJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.74
Rot. Bonds5

About methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate

methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate (PubChem CID 63986668) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
PubChem CID63986668
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-8(11(14)16-3)12-7-9-5-4-6-10(13-9)15-2/h4-6,8,12H,7H2,1-3H3
InChIKeyQLXQXTURJRFZMJ-UHFFFAOYSA-N
XLogP0.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate (CID 63986668) is methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate is COC(=O)C(C)NCc1cccc(OC)n1.
What is the InChIKey of methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate?
The InChIKey is QLXQXTURJRFZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(14)16-3)12-7-9-5-4-6-10(13-9)15-2/h4-6,8,12H,7H2,1-3H3.
What are the key properties of methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate?
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 63986668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).