2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid

C14H20N2O4 — CID 43467541

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCc1cc(C)c(C(=O)NC(C(=O)O)C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-7-6-8(2)15-11(17)9(7)12(18)16-10(13(19)20)14(3,4)5/h6,10H,1-5H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyWUDJNLVJCNEGDX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.22
Rot. Bonds3

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 43467541) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID43467541
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCc1cc(C)c(C(=O)NC(C(=O)O)C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-7-6-8(2)15-11(17)9(7)12(18)16-10(13(19)20)14(3,4)5/h6,10H,1-5H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyWUDJNLVJCNEGDX-UHFFFAOYSA-N
XLogP1.22
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54990799
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975629
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43171214
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
(2S)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61152695
4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
CID 82723840
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
CID 81085835
N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 109381227
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72866160
(2R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926816
(2S)-2-[(3,5-dimethylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144757
N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 167792286

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 43467541) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid is Cc1cc(C)c(C(=O)NC(C(=O)O)C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is WUDJNLVJCNEGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7-6-8(2)15-11(17)9(7)12(18)16-10(13(19)20)14(3,4)5/h6,10H,1-5H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).