5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid

C14H19N3O3 — CID 122057052

IUPAC5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C14H19N3O3/c18-13(19)11-8-16-12(9-15-11)17-6-7-20-14(10-17)4-2-1-3-5-14/h8-9H,1-7,10H2,(H,18,19)
InChIKeyIWZWJPAOPLDIMM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds2

About 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid

5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid (PubChem CID 122057052) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid
PubChem CID122057052
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C14H19N3O3/c18-13(19)11-8-16-12(9-15-11)17-6-7-20-14(10-17)4-2-1-3-5-14/h8-9H,1-7,10H2,(H,18,19)
InChIKeyIWZWJPAOPLDIMM-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid (CID 122057052) is 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCOC3(CCCCC3)C2)cn1.
What is the InChIKey of 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid?
The InChIKey is IWZWJPAOPLDIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)11-8-16-12(9-15-11)17-6-7-20-14(10-17)4-2-1-3-5-14/h8-9H,1-7,10H2,(H,18,19).
What are the key properties of 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid?
5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).