2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid

C16H17NO2 — CID 154512610

IUPAC2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
SMILESCc1nccc(-c2ccc(C(C)C(=O)O)cc2)c1C
InChIInChI=1S/C16H17NO2/c1-10-12(3)17-9-8-15(10)14-6-4-13(5-7-14)11(2)16(18)19/h4-9,11H,1-3H3,(H,18,19)
InChIKeyAXNLGNFVQUEODU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.55
Rot. Bonds3

About 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid

2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid (PubChem CID 154512610) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
PubChem CID154512610
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
SMILESCc1nccc(-c2ccc(C(C)C(=O)O)cc2)c1C
InChIInChI=1S/C16H17NO2/c1-10-12(3)17-9-8-15(10)14-6-4-13(5-7-14)11(2)16(18)19/h4-9,11H,1-3H3,(H,18,19)
InChIKeyAXNLGNFVQUEODU-UHFFFAOYSA-N
XLogP3.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117332408
2-(4-pyrimidin-4-ylphenyl)propanoic acid
CID 142788685
2-(4-methyl-3-phenylphenyl)propanoic acid
CID 117353578
2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
CID 67119258
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-(2-cyano-4-pyridinyl)propanoic acid
CID 22939335
2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
CID 67119213
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
CID 15941789
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid (CID 154512610) is 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid is Cc1nccc(-c2ccc(C(C)C(=O)O)cc2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid?
The InChIKey is AXNLGNFVQUEODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-12(3)17-9-8-15(10)14-6-4-13(5-7-14)11(2)16(18)19/h4-9,11H,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid?
2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid is sourced from PubChem (CID 154512610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).