5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid

C12H15N3O4 — CID 167981476

IUPAC5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC3(COCCO3)C2)cn1
InChIInChI=1S/C12H15N3O4/c16-11(17)9-5-14-10(6-13-9)15-8-3-12(4-8)7-18-1-2-19-12/h5-6,8H,1-4,7H2,(H,14,15)(H,16,17)
InChIKeyYSGDYELBHCLKRN-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.53
Rot. Bonds3

About 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid

5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 167981476) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID167981476
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC3(COCCO3)C2)cn1
InChIInChI=1S/C12H15N3O4/c16-11(17)9-5-14-10(6-13-9)15-8-3-12(4-8)7-18-1-2-19-12/h5-6,8H,1-4,7H2,(H,14,15)(H,16,17)
InChIKeyYSGDYELBHCLKRN-UHFFFAOYSA-N
XLogP0.53
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid (CID 167981476) is 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CC3(COCCO3)C2)cn1.
What is the InChIKey of 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is YSGDYELBHCLKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-11(17)9-5-14-10(6-13-9)15-8-3-12(4-8)7-18-1-2-19-12/h5-6,8H,1-4,7H2,(H,14,15)(H,16,17).
What are the key properties of 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid?
5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 167981476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).