3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid

C15H24N2O4 — CID 82218711

IUPAC3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1CCC(=O)O
InChIInChI=1S/C15H24N2O4/c1-3-5-7-16(4-2)10-12-9-13(18)14(19)11-17(12)8-6-15(20)21/h9,11,19H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyJKVIMSJLQHSBSL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.65
Rot. Bonds9

About 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid

3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid (PubChem CID 82218711) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
PubChem CID82218711
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1CCC(=O)O
InChIInChI=1S/C15H24N2O4/c1-3-5-7-16(4-2)10-12-9-13(18)14(19)11-17(12)8-6-15(20)21/h9,11,19H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyJKVIMSJLQHSBSL-UHFFFAOYSA-N
XLogP1.65
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 94960593
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82218616
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
4-[2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]butanoic acid
CID 94960541
2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218595
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
CID 82217761
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
CID 94960137
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid (CID 82218711) is 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid is CCCCN(CC)Cc1cc(=O)c(O)cn1CCC(=O)O.
What is the InChIKey of 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid?
The InChIKey is JKVIMSJLQHSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-5-7-16(4-2)10-12-9-13(18)14(19)11-17(12)8-6-15(20)21/h9,11,19H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid?
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82218711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).