2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid

C11H14N2O4 — CID 82720780

IUPAC2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)ONC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-13-9(14)8-7(10(15)16)5-4-6-12-8/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyDVEUGSDUUWXFPE-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.24
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid (PubChem CID 82720780) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
PubChem CID82720780
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)ONC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-13-9(14)8-7(10(15)16)5-4-6-12-8/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyDVEUGSDUUWXFPE-UHFFFAOYSA-N
XLogP1.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114155377
2-methoxy-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82724055
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
pyridine-2,3-dicarboxylic acid
CID 1066
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid (CID 82720780) is 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid is CC(C)(C)ONC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is DVEUGSDUUWXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,3)17-13-9(14)8-7(10(15)16)5-4-6-12-8/h4-6H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82720780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).