4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

C11H14N2O4 — CID 22172623

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccncc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyFRZDXLXQZVISAQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.13
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid (PubChem CID 22172623) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
PubChem CID22172623
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccncc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyFRZDXLXQZVISAQ-UHFFFAOYSA-N
XLogP2.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid (CID 22172623) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The InChIKey is FRZDXLXQZVISAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 22172623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).