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

C15H24N2O3 — CID 83049348

IUPAC2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)nc1CC(N)CC)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-4-6-14(15(18)19)20-13-8-7-10(3)17-12(13)9-11(16)5-2/h7-8,11,14H,4-6,9,16H2,1-3H3,(H,18,19)
InChIKeyZRFXZBYSUCAXKH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds8

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

2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid (PubChem CID 83049348) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
PubChem CID83049348
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)nc1CC(N)CC)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-4-6-14(15(18)19)20-13-8-7-10(3)17-12(13)9-11(16)5-2/h7-8,11,14H,4-6,9,16H2,1-3H3,(H,18,19)
InChIKeyZRFXZBYSUCAXKH-UHFFFAOYSA-N
XLogP2.30
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83040752
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
CID 79168999
2-[2-(2-aminobutyl)-4-bromophenoxy]pentanoic acid
CID 83049346
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 83040947
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912
1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79165128
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
CID 83048867
2-[3-(2-aminobutyl)-4-bromophenoxy]pentanoic acid
CID 83048752
2-[4-(2-aminobutyl)-2,6-dibromophenoxy]pentanoic acid
CID 107739980
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
CID 79164939

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
The IUPAC name of 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid (CID 83049348) is 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
The canonical SMILES for 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid is CCCC(Oc1ccc(C)nc1CC(N)CC)C(=O)O.
What is the InChIKey of 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
The InChIKey is ZRFXZBYSUCAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-6-14(15(18)19)20-13-8-7-10(3)17-12(13)9-11(16)5-2/h7-8,11,14H,4-6,9,16H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid?
2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid is sourced from PubChem (CID 83049348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).