2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid

C12H17NO3 — CID 65248302

IUPAC2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid
SMILESCc1ccn(CCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C12H17NO3/c1-9-4-6-13(10(14)8-9)7-5-12(2,3)11(15)16/h4,6,8H,5,7H2,1-3H3,(H,15,16)
InChIKeyFIQVDLDXEZGLLD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.66
Rot. Bonds4

About 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid

2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 65248302) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid
PubChem CID65248302
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid
SMILESCc1ccn(CCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C12H17NO3/c1-9-4-6-13(10(14)8-9)7-5-12(2,3)11(15)16/h4,6,8H,5,7H2,1-3H3,(H,15,16)
InChIKeyFIQVDLDXEZGLLD-UHFFFAOYSA-N
XLogP1.66
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid (CID 65248302) is 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid is Cc1ccn(CCC(C)(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is FIQVDLDXEZGLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-6-13(10(14)8-9)7-5-12(2,3)11(15)16/h4,6,8H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid?
2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 65248302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).