1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid

C11H14N2O5 — CID 57017775

IUPAC1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(O)c(C(=O)O)c(=O)n1CCCC(N)=O
InChIInChI=1S/C11H14N2O5/c1-6-5-7(14)9(11(17)18)10(16)13(6)4-2-3-8(12)15/h5,14H,2-4H2,1H3,(H2,12,15)(H,17,18)
InChIKeyQKUOCNGATCLQGL-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.17
Rot. Bonds5

About 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid

1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 57017775) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID57017775
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(O)c(C(=O)O)c(=O)n1CCCC(N)=O
InChIInChI=1S/C11H14N2O5/c1-6-5-7(14)9(11(17)18)10(16)13(6)4-2-3-8(12)15/h5,14H,2-4H2,1H3,(H2,12,15)(H,17,18)
InChIKeyQKUOCNGATCLQGL-UHFFFAOYSA-N
XLogP-0.17
TPSA122.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid (CID 57017775) is 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1cc(O)c(C(=O)O)c(=O)n1CCCC(N)=O.
What is the InChIKey of 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is QKUOCNGATCLQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6-5-7(14)9(11(17)18)10(16)13(6)4-2-3-8(12)15/h5,14H,2-4H2,1H3,(H2,12,15)(H,17,18).
What are the key properties of 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-oxobutyl)-4-hydroxy-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 57017775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).