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

C14H22N2O5 — CID 82217706

IUPAC4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1CCCC(=O)O
InChIInChI=1S/C14H22N2O5/c1-10-8-12(18)14(21)11(9-15(2)6-7-17)16(10)5-3-4-13(19)20/h8,17,21H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyUSVZXKGTTOZHMU-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.15
Rot. Bonds8

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

4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid (PubChem CID 82217706) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid
PubChem CID82217706
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1CCCC(=O)O
InChIInChI=1S/C14H22N2O5/c1-10-8-12(18)14(21)11(9-15(2)6-7-17)16(10)5-3-4-13(19)20/h8,17,21H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyUSVZXKGTTOZHMU-UHFFFAOYSA-N
XLogP0.15
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid (CID 82217706) is 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid is Cc1cc(=O)c(O)c(CN(C)CCO)n1CCCC(=O)O.
What is the InChIKey of 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The InChIKey is USVZXKGTTOZHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-10-8-12(18)14(21)11(9-15(2)6-7-17)16(10)5-3-4-13(19)20/h8,17,21H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid has a molecular weight of 298.34 g/mol, XLogP of 0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-4-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82217706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).