2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid

C10H14N2O3 — CID 79776211

IUPAC2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
SMILESCNCc1ccc(OC(C)C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-7(10(13)14)15-9-4-3-8(5-11-2)12-6-9/h3-4,6-7,11H,5H2,1-2H3,(H,13,14)
InChIKeyKZLUYIMGERYRHS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds5

About 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid

2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid (PubChem CID 79776211) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
PubChem CID79776211
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
SMILESCNCc1ccc(OC(C)C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-7(10(13)14)15-9-4-3-8(5-11-2)12-6-9/h3-4,6-7,11H,5H2,1-2H3,(H,13,14)
InChIKeyKZLUYIMGERYRHS-UHFFFAOYSA-N
XLogP0.65
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
N,N-dimethyl-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776398
2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid
CID 115461345
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid (CID 79776211) is 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid is CNCc1ccc(OC(C)C(=O)O)cn1.
What is the InChIKey of 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid?
The InChIKey is KZLUYIMGERYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(10(13)14)15-9-4-3-8(5-11-2)12-6-9/h3-4,6-7,11H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid?
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 79776211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).