5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid

C14H19N3O3 — CID 122057284

IUPAC5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC3(CCOCC3)CC2)cn1
InChIInChI=1S/C14H19N3O3/c18-13(19)11-9-16-12(10-15-11)17-5-1-14(2-6-17)3-7-20-8-4-14/h9-10H,1-8H2,(H,18,19)
InChIKeyFUQMSBUCZYKLCN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds2

About 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid

5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid (PubChem CID 122057284) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
PubChem CID122057284
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC3(CCOCC3)CC2)cn1
InChIInChI=1S/C14H19N3O3/c18-13(19)11-9-16-12(10-15-11)17-5-1-14(2-6-17)3-7-20-8-4-14/h9-10H,1-8H2,(H,18,19)
InChIKeyFUQMSBUCZYKLCN-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid (CID 122057284) is 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC3(CCOCC3)CC2)cn1.
What is the InChIKey of 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid?
The InChIKey is FUQMSBUCZYKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)11-9-16-12(10-15-11)17-5-1-14(2-6-17)3-7-20-8-4-14/h9-10H,1-8H2,(H,18,19).
What are the key properties of 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid?
5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).