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

C12H16N2O4 — CID 120524378

IUPAC2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1cccc(=O)n1C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(12(17)18)7-13(2)11(16)9-5-4-6-10(15)14(9)3/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyRTHXWCSNVHQBEL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds4

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

2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120524378) 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-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid
PubChem CID120524378
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1cccc(=O)n1C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(12(17)18)7-13(2)11(16)9-5-4-6-10(15)14(9)3/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyRTHXWCSNVHQBEL-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

2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120518350
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119227833
2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498
4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 120528619
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364
2-methyl-3-[methyl-(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 55007876
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756
3-[(4-carbamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008504
3-[[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228298
N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide
CID 135221145
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid (CID 120524378) is 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)c1cccc(=O)n1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is RTHXWCSNVHQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(12(17)18)7-13(2)11(16)9-5-4-6-10(15)14(9)3/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-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-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120524378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).