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

C10H13N3O4 — CID 20623657

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-7-6(8(14)15)11-4-5-12-7/h4-5H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyFYMXMLSCEGBHRW-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.52
Rot. Bonds2

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

3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid (PubChem CID 20623657) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
PubChem CID20623657
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-7-6(8(14)15)11-4-5-12-7/h4-5H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyFYMXMLSCEGBHRW-UHFFFAOYSA-N
XLogP1.52
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid (CID 20623657) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
The InChIKey is FYMXMLSCEGBHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-7-6(8(14)15)11-4-5-12-7/h4-5H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 20623657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).