2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one

C17H23NO6 — CID 70744686

IUPAC2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(=O)c(OC)co1)CC2
InChIInChI=1S/C17H23NO6/c1-3-23-15-9-14(20)17(15)4-6-18(7-5-17)16(21)12-8-11(19)13(22-2)10-24-12/h8,10,14-15,20H,3-7,9H2,1-2H3/t14-,15+/m1/s1
InChIKeyOVBBSPOMJVSKIT-CABCVRRESA-N
MW337.37 g/mol
LogP1.04
Rot. Bonds4

About 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one

2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one (PubChem CID 70744686) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one
PubChem CID70744686
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(=O)c(OC)co1)CC2
InChIInChI=1S/C17H23NO6/c1-3-23-15-9-14(20)17(15)4-6-18(7-5-17)16(21)12-8-11(19)13(22-2)10-24-12/h8,10,14-15,20H,3-7,9H2,1-2H3/t14-,15+/m1/s1
InChIKeyOVBBSPOMJVSKIT-CABCVRRESA-N
XLogP1.04
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one with MolForge

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Related Compounds

2-{[3-(hydroxymethyl)-3-propylpiperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 70754945
2-{[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77093367
2-(3-Ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl)-5-methoxypyran-4-one
CID 77852225
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methylpyran-4-one
CID 97137511
2-[(3R)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methylpyran-4-one
CID 97137512
3,4-dihydro-2H-pyran-6-yl-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 109907545
2-methyl-6-(9-oxa-2-azaspiro[5.5]undec-2-ylcarbonyl)-4H-pyran-4-one
CID 118769633
2-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one
CID 133111732
2-[4-Ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxypyran-4-one
CID 138992102
2-{[rel-(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propyl-1-piperidinyl]carbonyl}-6-methyl-4H-pyran-4-one
CID 155495706

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one (CID 70744686) is 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(=O)c(OC)co1)CC2.
What is the InChIKey of 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one?
The InChIKey is OVBBSPOMJVSKIT-CABCVRRESA-N. The full InChI is InChI=1S/C17H23NO6/c1-3-23-15-9-14(20)17(15)4-6-18(7-5-17)16(21)12-8-11(19)13(22-2)10-24-12/h8,10,14-15,20H,3-7,9H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one?
2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one has a molecular weight of 337.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-5-methoxypyran-4-one is sourced from PubChem (CID 70744686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).