4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid

C13H20N2O4 — CID 82217707

IUPAC4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CCCC(=O)O
InChIInChI=1S/C13H20N2O4/c1-9-7-11(16)13(19)10(8-14(2)3)15(9)6-4-5-12(17)18/h7,19H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyDAUXDQTUSSBRHG-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.79
Rot. Bonds6

About 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid

4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid (PubChem CID 82217707) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid
PubChem CID82217707
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CCCC(=O)O
InChIInChI=1S/C13H20N2O4/c1-9-7-11(16)13(19)10(8-14(2)3)15(9)6-4-5-12(17)18/h7,19H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyDAUXDQTUSSBRHG-UHFFFAOYSA-N
XLogP0.79
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid (CID 82217707) is 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid is Cc1cc(=O)c(O)c(CN(C)C)n1CCCC(=O)O.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The InChIKey is DAUXDQTUSSBRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-7-11(16)13(19)10(8-14(2)3)15(9)6-4-5-12(17)18/h7,19H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82217707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).