2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

C15H24N2O4 — CID 82217904

IUPAC2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCC(C)C
InChIInChI=1S/C15H24N2O4/c1-10(2)5-6-17-11(3)7-13(18)15(21)12(17)8-16(4)9-14(19)20/h7,10,21H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyKYQKHRONSLXCHG-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.42
Rot. Bonds7

About 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (PubChem CID 82217904) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
PubChem CID82217904
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCC(C)C
InChIInChI=1S/C15H24N2O4/c1-10(2)5-6-17-11(3)7-13(18)15(21)12(17)8-16(4)9-14(19)20/h7,10,21H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyKYQKHRONSLXCHG-UHFFFAOYSA-N
XLogP1.42
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (CID 82217904) is 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is Cc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCC(C)C.
What is the InChIKey of 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The InChIKey is KYQKHRONSLXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)5-6-17-11(3)7-13(18)15(21)12(17)8-16(4)9-14(19)20/h7,10,21H,5-6,8-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is sourced from PubChem (CID 82217904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).