(5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol

C11H19NO3 — CID 155982681

IUPAC(5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@@H]1CN(C2COC2)CC[C@]12CCCO2
InChIInChI=1S/C11H19NO3/c13-10-6-12(9-7-14-8-9)4-3-11(10)2-1-5-15-11/h9-10,13H,1-8H2/t10-,11-/m1/s1
InChIKeyHDGQNODYGQPBCN-GHMZBOCLSA-N
MW213.28 g/mol
LogP0.00
Rot. Bonds1

About (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol

(5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 155982681) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID155982681
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@@H]1CN(C2COC2)CC[C@]12CCCO2
InChIInChI=1S/C11H19NO3/c13-10-6-12(9-7-14-8-9)4-3-11(10)2-1-5-15-11/h9-10,13H,1-8H2/t10-,11-/m1/s1
InChIKeyHDGQNODYGQPBCN-GHMZBOCLSA-N
XLogP0.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone
CID 110156326
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 110155857
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
CID 110155802
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155828
(5S,6S)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155818
(5S,6S)-8-benzylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159731
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 155982681) is (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol is O[C@@H]1CN(C2COC2)CC[C@]12CCCO2.
What is the InChIKey of (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is HDGQNODYGQPBCN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10-6-12(9-7-14-8-9)4-3-11(10)2-1-5-15-11/h9-10,13H,1-8H2/t10-,11-/m1/s1.
What are the key properties of (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 213.28 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-8-(oxetan-3-yl)-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 155982681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).