2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid

C12H16N2O4 — CID 119199937

IUPAC2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1ccc(=O)n(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,11(17)18)14(4)10(16)8-5-6-9(15)13(3)7-8/h5-7H,1-4H3,(H,17,18)
InChIKeyPHSZLWJLVGEQAQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds3

About 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119199937) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID119199937
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1ccc(=O)n(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,11(17)18)14(4)10(16)8-5-6-9(15)13(3)7-8/h5-7H,1-4H3,(H,17,18)
InChIKeyPHSZLWJLVGEQAQ-UHFFFAOYSA-N
XLogP0.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119227833
N,1-dimethyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 75461380
2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
CID 102710704
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120518687
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
2-[(3-chloro-4-iodobenzoyl)-methylamino]-2-methylpropanoic acid
CID 103219075
6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid
CID 163342863
2-[(3,5-dibromobenzoyl)-methylamino]-2-methylpropanoic acid
CID 107971376
2-[(4-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 106703244
2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid (CID 119199937) is 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid is CN(C(=O)c1ccc(=O)n(C)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is PHSZLWJLVGEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,11(17)18)14(4)10(16)8-5-6-9(15)13(3)7-8/h5-7H,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119199937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).