2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid

C13H20N2O3 — CID 59975127

IUPAC2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid
SMILESCc1c(C)c(C)n(C(C)C(=O)O)c(=O)c1N(C)C
InChIInChI=1S/C13H20N2O3/c1-7-8(2)11(14(5)6)12(16)15(9(7)3)10(4)13(17)18/h10H,1-6H3,(H,17,18)
InChIKeyILLWVOHFIJZQAR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.49
Rot. Bonds3

About 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid

2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid (PubChem CID 59975127) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid
PubChem CID59975127
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid
SMILESCc1c(C)c(C)n(C(C)C(=O)O)c(=O)c1N(C)C
InChIInChI=1S/C13H20N2O3/c1-7-8(2)11(14(5)6)12(16)15(9(7)3)10(4)13(17)18/h10H,1-6H3,(H,17,18)
InChIKeyILLWVOHFIJZQAR-UHFFFAOYSA-N
XLogP1.49
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3,4-Trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid
CID 20709858
2-(2,3,4,5-Tetramethyl-6-oxo-1-pyridinyl)acetic acid
CID 22949189
[Diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate
CID 59975139
2-(3-Amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid
CID 67651443
2-(5,7-dioxo-1-propan-2-yl-2H-pyrrolo[3,4-b]pyridin-6-yl)propanoic acid
CID 150205111
2-(3-Amino-4-ethyl-2-oxo-1-pyridinyl)propanoic acid
CID 67574838
2-[Methyl-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 121926169

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid (CID 59975127) is 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid is Cc1c(C)c(C)n(C(C)C(=O)O)c(=O)c1N(C)C.
What is the InChIKey of 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid?
The InChIKey is ILLWVOHFIJZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-7-8(2)11(14(5)6)12(16)15(9(7)3)10(4)13(17)18/h10H,1-6H3,(H,17,18).
What are the key properties of 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid?
2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 59975127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).