3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid

C11H15NO3 — CID 83884320

IUPAC3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
SMILESCCOc1ncccc1CC(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-15-10-9(5-4-6-12-10)7-8(2)11(13)14/h4-6,8H,3,7H2,1-2H3,(H,13,14)
InChIKeyUAQMTVLAXPESSV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.74
Rot. Bonds5

About 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid

3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid (PubChem CID 83884320) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
PubChem CID83884320
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
SMILESCCOc1ncccc1CC(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-15-10-9(5-4-6-12-10)7-8(2)11(13)14/h4-6,8H,3,7H2,1-2H3,(H,13,14)
InChIKeyUAQMTVLAXPESSV-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

2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082
(2-ethoxy-3-pyridinyl)methyl carbamate
CID 175042613
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid (CID 83884320) is 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid is CCOc1ncccc1CC(C)C(=O)O.
What is the InChIKey of 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid?
The InChIKey is UAQMTVLAXPESSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-10-9(5-4-6-12-10)7-8(2)11(13)14/h4-6,8H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid?
3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic 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 3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 83884320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).