2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid

C18H21NO3 — CID 176809254

IUPAC2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(CC(C)C)cc1-c1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C18H21NO3/c1-12(2)8-14-5-4-13(3)16(9-14)15-6-7-17(20)19(10-15)11-18(21)22/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,22)
InChIKeyOBLYQSHSZTWIQF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid

2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 176809254) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID176809254
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(CC(C)C)cc1-c1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C18H21NO3/c1-12(2)8-14-5-4-13(3)16(9-14)15-6-7-17(20)19(10-15)11-18(21)22/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,22)
InChIKeyOBLYQSHSZTWIQF-UHFFFAOYSA-N
XLogP3.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169214219
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214363
2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
CID 176809246
1-(4-methyl-3-phenylphenyl)propan-2-ol
CID 117325758
4-methyl-3-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 105409668
1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene
CID 163668395
6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363302
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid (CID 176809254) is 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(CC(C)C)cc1-c1ccc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is OBLYQSHSZTWIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)8-14-5-4-13(3)16(9-14)15-6-7-17(20)19(10-15)11-18(21)22/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,22).
What are the key properties of 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 176809254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).