2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid

C16H17NO2 — CID 112650926

IUPAC2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2ncccc2C)C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-11-5-7-13(8-6-11)14(16(18)19)10-15-12(2)4-3-9-17-15/h3-9,14H,10H2,1-2H3,(H,18,19)
InChIKeyIZKWQVHRGXBITI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid

2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 112650926) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID112650926
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2ncccc2C)C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-11-5-7-13(8-6-11)14(16(18)19)10-15-12(2)4-3-9-17-15/h3-9,14H,10H2,1-2H3,(H,18,19)
InChIKeyIZKWQVHRGXBITI-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
2-[(4-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982233
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(2S)-3-chloro-2-(4-methylphenyl)propanoic acid
CID 54042500
2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982237

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (CID 112650926) is 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1ccc(C(Cc2ncccc2C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is IZKWQVHRGXBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-7-13(8-6-11)14(16(18)19)10-15-12(2)4-3-9-17-15/h3-9,14H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 112650926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).