3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one

C13H20N4O2 — CID 167301316

IUPAC3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CC3(COC[C@@H]3N)C2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-8(2)9-3-15-11(12(18)16-9)17-5-13(6-17)7-19-4-10(13)14/h3,8,10H,4-7,14H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeySHMAGBCJWRWEES-JTQLQIEISA-N
MW264.33 g/mol
LogP0.06
Rot. Bonds2

About 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one

3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 167301316) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID167301316
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CC3(COC[C@@H]3N)C2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-8(2)9-3-15-11(12(18)16-9)17-5-13(6-17)7-19-4-10(13)14/h3,8,10H,4-7,14H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeySHMAGBCJWRWEES-JTQLQIEISA-N
XLogP0.06
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one (CID 167301316) is 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CC3(COC[C@@H]3N)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is SHMAGBCJWRWEES-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)9-3-15-11(12(18)16-9)17-5-13(6-17)7-19-4-10(13)14/h3,8,10H,4-7,14H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 167301316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).