5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

C11H14N2O4 — CID 22266154

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15)
InChIKeyKOKMNLWZMSIVQZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.13
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid (PubChem CID 22266154) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
PubChem CID22266154
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15)
InChIKeyKOKMNLWZMSIVQZ-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 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid (CID 22266154) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The InChIKey is KOKMNLWZMSIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
5-[(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 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 22266154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).