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

C10H13NO4 — CID 79159018

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)c(CO)n1
InChIInChI=1S/C10H13NO4/c1-6-3-4-9(8(5-12)11-6)15-7(2)10(13)14/h3-4,7,12H,5H2,1-2H3,(H,13,14)
InChIKeyNZORGNPUEKYHGS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.73
Rot. Bonds4

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

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid (PubChem CID 79159018) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
PubChem CID79159018
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)c(CO)n1
InChIInChI=1S/C10H13NO4/c1-6-3-4-9(8(5-12)11-6)15-7(2)10(13)14/h3-4,7,12H,5H2,1-2H3,(H,13,14)
InChIKeyNZORGNPUEKYHGS-UHFFFAOYSA-N
XLogP0.73
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
CID 79157379
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83040752
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79169274
1-(azepan-1-yl)-2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propan-1-one
CID 79163826
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
CID 79157642
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid (CID 79159018) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid is Cc1ccc(OC(C)C(=O)O)c(CO)n1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid?
The InChIKey is NZORGNPUEKYHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6-3-4-9(8(5-12)11-6)15-7(2)10(13)14/h3-4,7,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 79159018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).