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

C12H16N2O4 — CID 119227833

IUPAC2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1ccc(=O)n(C)c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(12(17)18)6-14(3)11(16)9-4-5-10(15)13(2)7-9/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyRWTDEKONNBCWJZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds4

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

2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119227833) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID119227833
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1ccc(=O)n(C)c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(12(17)18)6-14(3)11(16)9-4-5-10(15)13(2)7-9/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyRWTDEKONNBCWJZ-UHFFFAOYSA-N
XLogP0.18
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 75461380
3-[(4-carbamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008504
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid
CID 120524378
2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119199937
3-[(3,4-diethoxybenzoyl)-methylamino]-2-methylpropanoic acid
CID 119227905
2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498
2-methyl-3-[methyl-(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 55007876
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313866
2-methyl-3-[methyl-[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 122111519
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid (CID 119227833) is 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)c1ccc(=O)n(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is RWTDEKONNBCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(12(17)18)6-14(3)11(16)9-4-5-10(15)13(2)7-9/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119227833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).