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

C14H22N2O4 — CID 82217130

IUPAC2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(C)CC(=O)O
InChIInChI=1S/C14H22N2O4/c1-5-9(2)16-10(3)6-12(17)14(20)11(16)7-15(4)8-13(18)19/h6,9,20H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyYVQCEHMXMORNDY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.35
Rot. Bonds6

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

2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid (PubChem CID 82217130) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
PubChem CID82217130
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(C)CC(=O)O
InChIInChI=1S/C14H22N2O4/c1-5-9(2)16-10(3)6-12(17)14(20)11(16)7-15(4)8-13(18)19/h6,9,20H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyYVQCEHMXMORNDY-UHFFFAOYSA-N
XLogP1.35
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid (CID 82217130) is 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid is CCC(C)n1c(C)cc(=O)c(O)c1CN(C)CC(=O)O.
What is the InChIKey of 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid?
The InChIKey is YVQCEHMXMORNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-9(2)16-10(3)6-12(17)14(20)11(16)7-15(4)8-13(18)19/h6,9,20H,5,7-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid?
2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 82217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).