2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

C13H23NO3 — CID 135101216

IUPAC2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C13H23NO3/c1-2-17-9-12(16)14-8-4-7-13(10-14)6-3-5-11(13)15/h11,15H,2-10H2,1H3/t11-,13+/m1/s1
InChIKeyZGVJHLVRXGJAEJ-YPMHNXCESA-N
MW241.33 g/mol
LogP1.18
Rot. Bonds3

About 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone (PubChem CID 135101216) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
PubChem CID135101216
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C13H23NO3/c1-2-17-9-12(16)14-8-4-7-13(10-14)6-3-5-11(13)15/h11,15H,2-10H2,1H3/t11-,13+/m1/s1
InChIKeyZGVJHLVRXGJAEJ-YPMHNXCESA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
CID 135108988
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 154917926
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
(3aS,6aR)-2-(2-ethoxyacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683191
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 135093819

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone (CID 135101216) is 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone is CCOCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1.
What is the InChIKey of 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is ZGVJHLVRXGJAEJ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-9-12(16)14-8-4-7-13(10-14)6-3-5-11(13)15/h11,15H,2-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone?
2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 241.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 135101216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).