2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid

C14H22N2O3 — CID 139579982

IUPAC2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(CN(C)C)cc1=O
InChIInChI=1S/C14H22N2O3/c1-10(2)7-12(14(18)19)16-6-5-11(8-13(16)17)9-15(3)4/h5-6,8,10,12H,7,9H2,1-4H3,(H,18,19)
InChIKeyJSXQDWGFTJCHHU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.58
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid

2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 139579982) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID139579982
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(CN(C)C)cc1=O
InChIInChI=1S/C14H22N2O3/c1-10(2)7-12(14(18)19)16-6-5-11(8-13(16)17)9-15(3)4/h5-6,8,10,12H,7,9H2,1-4H3,(H,18,19)
InChIKeyJSXQDWGFTJCHHU-UHFFFAOYSA-N
XLogP1.58
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 139579982) is 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1ccc(CN(C)C)cc1=O.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is JSXQDWGFTJCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)7-12(14(18)19)16-6-5-11(8-13(16)17)9-15(3)4/h5-6,8,10,12H,7,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 139579982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).