2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid

C14H22N2O4 — CID 82218840

IUPAC2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)C
InChIInChI=1S/C14H22N2O4/c1-4-5-6-11(14(19)20)16-9-13(18)12(17)7-10(16)8-15(2)3/h7,9,11,18H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyXWJAQMOLQDPKNJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.43
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid

2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid (PubChem CID 82218840) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
PubChem CID82218840
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)C
InChIInChI=1S/C14H22N2O4/c1-4-5-6-11(14(19)20)16-9-13(18)12(17)7-10(16)8-15(2)3/h7,9,11,18H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyXWJAQMOLQDPKNJ-UHFFFAOYSA-N
XLogP1.43
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid (CID 82218840) is 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid is CCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The InChIKey is XWJAQMOLQDPKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-5-6-11(14(19)20)16-9-13(18)12(17)7-10(16)8-15(2)3/h7,9,11,18H,4-6,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid is sourced from PubChem (CID 82218840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).