2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid

C10H13NO3 — CID 130576933

IUPAC2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
SMILESCc1cn(CC(C)C(=O)O)ccc1=O
InChIInChI=1S/C10H13NO3/c1-7-5-11(4-3-9(7)12)6-8(2)10(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyYPLASQJSOFLMJQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid

2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid (PubChem CID 130576933) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
PubChem CID130576933
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
SMILESCc1cn(CC(C)C(=O)O)ccc1=O
InChIInChI=1S/C10H13NO3/c1-7-5-11(4-3-9(7)12)6-8(2)10(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)
InChIKeyYPLASQJSOFLMJQ-UHFFFAOYSA-N
XLogP0.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid (CID 130576933) is 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid is Cc1cn(CC(C)C(=O)O)ccc1=O.
What is the InChIKey of 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
The InChIKey is YPLASQJSOFLMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-5-11(4-3-9(7)12)6-8(2)10(13)14/h3-5,8H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 130576933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).