2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid

C15H15NO3 — CID 68750620

IUPAC2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
SMILESCc1ccn(Cc2ccc(CC(=O)O)cc2)c(=O)c1
InChIInChI=1S/C15H15NO3/c1-11-6-7-16(14(17)8-11)10-13-4-2-12(3-5-13)9-15(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyMVPIMLFCZBHSCX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid

2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid (PubChem CID 68750620) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
PubChem CID68750620
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
SMILESCc1ccn(Cc2ccc(CC(=O)O)cc2)c(=O)c1
InChIInChI=1S/C15H15NO3/c1-11-6-7-16(14(17)8-11)10-13-4-2-12(3-5-13)9-15(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyMVPIMLFCZBHSCX-UHFFFAOYSA-N
XLogP1.83
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]boronic acid
CID 62962134
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 115614095
2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetic acid
CID 105345403
methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 103749426
3-bromo-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 102766201
2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 104824982
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
CID 62962293
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
CID 62961234
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid (CID 68750620) is 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid is Cc1ccn(Cc2ccc(CC(=O)O)cc2)c(=O)c1.
What is the InChIKey of 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
The InChIKey is MVPIMLFCZBHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-6-7-16(14(17)8-11)10-13-4-2-12(3-5-13)9-15(18)19/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 68750620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).