2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid

C11H15NO3 — CID 83884318

IUPAC2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
SMILESCC(C)COc1ncccc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-8(2)7-15-11-9(6-10(13)14)4-3-5-12-11/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyKNUHWFBQZHGSRB-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid

2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid (PubChem CID 83884318) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
PubChem CID83884318
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
SMILESCC(C)COc1ncccc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-8(2)7-15-11-9(6-10(13)14)4-3-5-12-11/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyKNUHWFBQZHGSRB-UHFFFAOYSA-N
XLogP1.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
CID 83884320
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid (CID 83884318) is 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid is CC(C)COc1ncccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid?
The InChIKey is KNUHWFBQZHGSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)7-15-11-9(6-10(13)14)4-3-5-12-11/h3-5,8H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid?
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 83884318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).