2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid

C12H16N2O3 — CID 62829026

IUPAC2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1ccc(C(=O)NC(C)(C)C(=O)O)c(C)n1
InChIInChI=1S/C12H16N2O3/c1-7-5-6-9(8(2)13-7)10(15)14-12(3,4)11(16)17/h5-6H,1-4H3,(H,14,15)(H,16,17)
InChIKeySXCDILFOFIBMFZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.29
Rot. Bonds3

About 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid

2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62829026) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62829026
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1ccc(C(=O)NC(C)(C)C(=O)O)c(C)n1
InChIInChI=1S/C12H16N2O3/c1-7-5-6-9(8(2)13-7)10(15)14-12(3,4)11(16)17/h5-6H,1-4H3,(H,14,15)(H,16,17)
InChIKeySXCDILFOFIBMFZ-UHFFFAOYSA-N
XLogP1.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119187886
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64671902
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 113275834
N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 115364657
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
1-(2,6-dimethyl-3-pyridinyl)prop-2-yn-1-one
CID 105108206
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
2-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 61261706

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 62829026) is 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid is Cc1ccc(C(=O)NC(C)(C)C(=O)O)c(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is SXCDILFOFIBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-5-6-9(8(2)13-7)10(15)14-12(3,4)11(16)17/h5-6H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62829026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).