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

C12H16N2O4 — CID 66174598

IUPAC3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1ccc(C(=O)NCC(C)(O)C(=O)O)c(C)n1
InChIInChI=1S/C12H16N2O4/c1-7-4-5-9(8(2)14-7)10(15)13-6-12(3,18)11(16)17/h4-5,18H,6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyOEZBDNUEQMYPEJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.26
Rot. Bonds4

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

3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174598) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174598
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1ccc(C(=O)NCC(C)(O)C(=O)O)c(C)n1
InChIInChI=1S/C12H16N2O4/c1-7-4-5-9(8(2)14-7)10(15)13-6-12(3,18)11(16)17/h4-5,18H,6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyOEZBDNUEQMYPEJ-UHFFFAOYSA-N
XLogP0.26
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 115364657
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62829026
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64671902
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172176
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 114008693
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66174598) is 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is Cc1ccc(C(=O)NCC(C)(O)C(=O)O)c(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is OEZBDNUEQMYPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-4-5-9(8(2)14-7)10(15)13-6-12(3,18)11(16)17/h4-5,18H,6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).