3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid

C9H11NO4 — CID 54713301

IUPAC3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid
SMILESCc1cc(O)cc(=O)n1CCC(=O)O
InChIInChI=1S/C9H11NO4/c1-6-4-7(11)5-8(12)10(6)3-2-9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyQTULSHJBUBOZOY-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.34
Rot. Bonds3

About 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid

3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid (PubChem CID 54713301) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid
PubChem CID54713301
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid
SMILESCc1cc(O)cc(=O)n1CCC(=O)O
InChIInChI=1S/C9H11NO4/c1-6-4-7(11)5-8(12)10(6)3-2-9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyQTULSHJBUBOZOY-UHFFFAOYSA-N
XLogP0.34
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54680702
1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
2-(4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 54716503
1,6-Dimethyl-4-hydroxy-3-pyridinecarboxylic acid
CID 117677226
2-(4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 54676123
4-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)butanoic acid
CID 54692231
1-Butyl-6-methyl-2-oxopyridine-3-carboxylic acid
CID 20312185
6-Methyl-2-oxo-1-propylpyridine-3-carboxylic acid
CID 20312201
1-Isopropyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 30029751
4-Hydroxy-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 54678654
4-Hydroxy-6-methyl-1-propylpyridin-2(1H)-one
CID 54678658
1-Butyl-4-hydroxy-6-methylpyridin-2-one
CID 54710228

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid (CID 54713301) is 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid is Cc1cc(O)cc(=O)n1CCC(=O)O.
What is the InChIKey of 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid?
The InChIKey is QTULSHJBUBOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-4-7(11)5-8(12)10(6)3-2-9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid?
3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 54713301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).