2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid

C11H15NO3 — CID 83884297

IUPAC2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid
SMILESCC(C)Oc1cnccc1C(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7(2)15-10-6-12-5-4-9(10)8(3)11(13)14/h4-8H,1-3H3,(H,13,14)
InChIKeyVNPWRVNRPHUNTH-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid

2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid (PubChem CID 83884297) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid
PubChem CID83884297
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid
SMILESCC(C)Oc1cnccc1C(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7(2)15-10-6-12-5-4-9(10)8(3)11(13)14/h4-8H,1-3H3,(H,13,14)
InChIKeyVNPWRVNRPHUNTH-UHFFFAOYSA-N
XLogP2.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-propan-2-yloxypyridine
CID 123491232
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
CID 177172347
2-(4-propan-2-yloxy-3-pyridinyl)propan-2-ol
CID 84666329
2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 84676126
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
(4-propan-2-yl-3-pyridinyl) trifluoromethanesulfonate
CID 139986370
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
CID 79366521
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid?
The IUPAC name of 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid (CID 83884297) is 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid is CC(C)Oc1cnccc1C(C)C(=O)O.
What is the InChIKey of 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid?
The InChIKey is VNPWRVNRPHUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(2)15-10-6-12-5-4-9(10)8(3)11(13)14/h4-8H,1-3H3,(H,13,14).
What are the key properties of 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid?
2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid is sourced from PubChem (CID 83884297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).