[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium

C13H25N2O3+ — CID 86327460

IUPAC[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH3+])CO2
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(14)9-17-13/h10H,4-9,14H2,1-3H3/p+1/t10-/m1/s1
InChIKeyGBLUNQGZHFQTPW-SNVBAGLBSA-O
MW257.35 g/mol
LogP0.79
Rot. Bonds

About [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium

[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium (PubChem CID 86327460) has the molecular formula C13H25N2O3+ and a molecular weight of 257.35 g/mol. Its IUPAC name is [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium
PubChem CID86327460
Molecular FormulaC13H25N2O3+
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH3+])CO2
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(14)9-17-13/h10H,4-9,14H2,1-3H3/p+1/t10-/m1/s1
InChIKeyGBLUNQGZHFQTPW-SNVBAGLBSA-O
XLogP0.79
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium?
The IUPAC name of [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium (CID 86327460) is [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium.
What is the SMILES notation for [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium?
The canonical SMILES for [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium is CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH3+])CO2.
What is the InChIKey of [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium?
The InChIKey is GBLUNQGZHFQTPW-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(14)9-17-13/h10H,4-9,14H2,1-3H3/p+1/t10-/m1/s1.
What are the key properties of [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium?
[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium has a molecular weight of 257.35 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium is sourced from PubChem (CID 86327460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).