2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid

C14H20N2O3 — CID 114269512

IUPAC2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-14(6-2,13(18)19)16-12(17)11-8-9(3)7-10(4)15-11/h7-8H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYWWLRWUOMXDULB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.07
Rot. Bonds5

About 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid

2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 114269512) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID114269512
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-14(6-2,13(18)19)16-12(17)11-8-9(3)7-10(4)15-11/h7-8H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYWWLRWUOMXDULB-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethyl-2-pyridinyl)propan-1-one
CID 20718452
2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 104669831
2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 107371615
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592
4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
CID 158929011
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199
4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 114931869
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
CID 114765509
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
2-[(3,5-dimethylphenyl)methylamino]-2-ethylbutanoic acid
CID 79804678
2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid
CID 79807322

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid (CID 114269512) is 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1cc(C)cc(C)n1)C(=O)O.
What is the InChIKey of 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is YWWLRWUOMXDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-14(6-2,13(18)19)16-12(17)11-8-9(3)7-10(4)15-11/h7-8H,5-6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid?
2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 114269512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).