2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid

C16H17NO2 — CID 79418162

IUPAC2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
SMILESCc1ccccc1CC(Cc1cccnc1)C(=O)O
InChIInChI=1S/C16H17NO2/c1-12-5-2-3-7-14(12)10-15(16(18)19)9-13-6-4-8-17-11-13/h2-8,11,15H,9-10H2,1H3,(H,18,19)
InChIKeyDQJVAIHNBYKUGS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid

2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid (PubChem CID 79418162) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
PubChem CID79418162
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
SMILESCc1ccccc1CC(Cc1cccnc1)C(=O)O
InChIInChI=1S/C16H17NO2/c1-12-5-2-3-7-14(12)10-15(16(18)19)9-13-6-4-8-17-11-13/h2-8,11,15H,9-10H2,1H3,(H,18,19)
InChIKeyDQJVAIHNBYKUGS-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
CID 14252647
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793492
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
2-[(2-chloro-4-methylphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 106865391

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid (CID 79418162) is 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid is Cc1ccccc1CC(Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid?
The InChIKey is DQJVAIHNBYKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-5-2-3-7-14(12)10-15(16(18)19)9-13-6-4-8-17-11-13/h2-8,11,15H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid?
2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 79418162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).