3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid

C16H17NO2 — CID 104572623

IUPAC3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2cccc(C)c2)C(=O)O)nc1
InChIInChI=1S/C16H17NO2/c1-11-4-3-5-13(8-11)9-14(16(18)19)15-7-6-12(2)10-17-15/h3-8,10,14H,9H2,1-2H3,(H,18,19)
InChIKeyNBGABFRKYAEZNR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds4

About 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid

3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid (PubChem CID 104572623) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
PubChem CID104572623
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2cccc(C)c2)C(=O)O)nc1
InChIInChI=1S/C16H17NO2/c1-11-4-3-5-13(8-11)9-14(16(18)19)15-7-6-12(2)10-17-15/h3-8,10,14H,9H2,1-2H3,(H,18,19)
InChIKeyNBGABFRKYAEZNR-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-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
CID 104572640
3-(3-methylphenyl)-2-(4-nitro-2-pyridinyl)propanoic acid
CID 104572614
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572631
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid (CID 104572623) is 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid is Cc1ccc(C(Cc2cccc(C)c2)C(=O)O)nc1.
What is the InChIKey of 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The InChIKey is NBGABFRKYAEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-3-5-13(8-11)9-14(16(18)19)15-7-6-12(2)10-17-15/h3-8,10,14H,9H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
3-(3-methylphenyl)-2-(5-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 3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 104572623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).