2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid

C12H16N2O4 — CID 114038729

IUPAC2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)c1c[nH]ccc1=O)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-12(2,11(17)18)7-14-10(16)8-6-13-5-4-9(8)15/h4-6H,3,7H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWMDKPNNFZZBJJT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.61
Rot. Bonds5

About 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid

2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 114038729) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID114038729
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)c1c[nH]ccc1=O)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-12(2,11(17)18)7-14-10(16)8-6-13-5-4-9(8)15/h4-6H,3,7H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWMDKPNNFZZBJJT-UHFFFAOYSA-N
XLogP0.61
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid with MolForge

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Related Compounds

1-(4-oxo-1H-pyridine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 108098156
3-(3,3-Diethyl-2,4-dioxo-1-pyridinyl)propanoic acid
CID 12833124
2-Methyl-2-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]butanoic acid
CID 81942180
methyl 3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103337065
methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103337285
methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103337308
N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337575
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337688
4-oxo-N-(2,2,3-trimethylbutyl)-1H-pyridine-3-carboxamide
CID 105706388
N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 106140031
3-methyl-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 108097901
3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 108097907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid (CID 114038729) is 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid is CCC(C)(CNC(=O)c1c[nH]ccc1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is WMDKPNNFZZBJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-12(2,11(17)18)7-14-10(16)8-6-13-5-4-9(8)15/h4-6H,3,7H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid?
2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 114038729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).