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

C17H19NO2 — CID 102877599

IUPAC2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cccc(CC(Cc2cncc(C)c2)C(=O)O)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-14(6-12)8-16(17(19)20)9-15-7-13(2)10-18-11-15/h3-7,10-11,16H,8-9H2,1-2H3,(H,19,20)
InChIKeyIUZJGPYUEFBVQM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.18
Rot. Bonds5

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

2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid (PubChem CID 102877599) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
PubChem CID102877599
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cccc(CC(Cc2cncc(C)c2)C(=O)O)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-14(6-12)8-16(17(19)20)9-15-7-13(2)10-18-11-15/h3-7,10-11,16H,8-9H2,1-2H3,(H,19,20)
InChIKeyIUZJGPYUEFBVQM-UHFFFAOYSA-N
XLogP3.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
2-[(3-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)propanoic acid
CID 79698980
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
2-[(3-methylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590729
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
(2R)-2-[(3-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417736
(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70070826
5-ethoxy-2-[(3-methylphenyl)methyl]pentanoic acid
CID 65180769
2-(aminomethyl)-3-(3-methylphenyl)propanamide
CID 43148279

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid (CID 102877599) is 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid is Cc1cccc(CC(Cc2cncc(C)c2)C(=O)O)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid?
The InChIKey is IUZJGPYUEFBVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-3-5-14(6-12)8-16(17(19)20)9-15-7-13(2)10-18-11-15/h3-7,10-11,16H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid?
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 102877599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).