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

C12H17NO4 — CID 83040752

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)nc1CO)C(=O)O
InChIInChI=1S/C12H17NO4/c1-3-4-11(12(15)16)17-10-6-5-8(2)13-9(10)7-14/h5-6,11,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyHVCPACCESPXLPQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.51
Rot. Bonds6

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

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid (PubChem CID 83040752) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
PubChem CID83040752
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)nc1CO)C(=O)O
InChIInChI=1S/C12H17NO4/c1-3-4-11(12(15)16)17-10-6-5-8(2)13-9(10)7-14/h5-6,11,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyHVCPACCESPXLPQ-UHFFFAOYSA-N
XLogP1.51
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83049348
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 83040947
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
CID 79168999
2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79169274
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid (CID 83040752) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid is CCCC(Oc1ccc(C)nc1CO)C(=O)O.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
The InChIKey is HVCPACCESPXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-4-11(12(15)16)17-10-6-5-8(2)13-9(10)7-14/h5-6,11,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.51, 6 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]pentanoic acid is sourced from PubChem (CID 83040752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).