[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H29NO4 — CID 97451891

IUPAC[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCC(C)OC[C@H]1CCC[C@]12CN(C(=O)[C@H]1CCOC1)CCO2
InChIInChI=1S/C17H29NO4/c1-13(2)21-11-15-4-3-6-17(15)12-18(7-9-22-17)16(19)14-5-8-20-10-14/h13-15H,3-12H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyXTFKUXVCYFSLCA-UXLLHSPISA-N
MW311.42 g/mol
LogP1.85
Rot. Bonds4

About [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97451891) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97451891
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCC(C)OC[C@H]1CCC[C@]12CN(C(=O)[C@H]1CCOC1)CCO2
InChIInChI=1S/C17H29NO4/c1-13(2)21-11-15-4-3-6-17(15)12-18(7-9-22-17)16(19)14-5-8-20-10-14/h13-15H,3-12H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyXTFKUXVCYFSLCA-UXLLHSPISA-N
XLogP1.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 98776893
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane
CID 97451871
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
(4S,5S)-9-[(5-methylfuran-2-yl)methyl]-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124815283
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776933
pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97386036
pyridazin-4-yl-[(4S,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451918
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683793
[(4S,5R)-4-(ethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776941

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97451891) is [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CC(C)OC[C@H]1CCC[C@]12CN(C(=O)[C@H]1CCOC1)CCO2.
What is the InChIKey of [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is XTFKUXVCYFSLCA-UXLLHSPISA-N. The full InChI is InChI=1S/C17H29NO4/c1-13(2)21-11-15-4-3-6-17(15)12-18(7-9-22-17)16(19)14-5-8-20-10-14/h13-15H,3-12H2,1-2H3/t14-,15+,17-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
[(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 311.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97451891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).