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

C11H14N2O5 — CID 113307764

IUPAC3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-11(2,10(17)18)5-12-9(16)6-3-7(14)13-8(15)4-6/h3-4H,5H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,15)
InChIKeyRRRMKRMRJUHTCS-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.08
Rot. Bonds4

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

3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 113307764) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID113307764
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-11(2,10(17)18)5-12-9(16)6-3-7(14)13-8(15)4-6/h3-4H,5H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,15)
InChIKeyRRRMKRMRJUHTCS-UHFFFAOYSA-N
XLogP-0.08
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 66173796
2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-4-carboxamide
CID 66179128
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
CID 24711531
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 65219647
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
1-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311941
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 120687898
N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 64539564

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 113307764) is 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is RRRMKRMRJUHTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-11(2,10(17)18)5-12-9(16)6-3-7(14)13-8(15)4-6/h3-4H,5H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,15).
What are the key properties of 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 254.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113307764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).