8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H26N4O5 — CID 56883207

IUPAC8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOCCc1noc(CN2CC3(CCN(C(C)=O)CC3)CC2C(=O)O)n1
InChIInChI=1S/C17H26N4O5/c1-12(22)20-6-4-17(5-7-20)9-13(16(23)24)21(11-17)10-15-18-14(19-26-15)3-8-25-2/h13H,3-11H2,1-2H3,(H,23,24)
InChIKeyHJRIVTOTGWMMCC-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.55
Rot. Bonds6

About 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56883207) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56883207
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOCCc1noc(CN2CC3(CCN(C(C)=O)CC3)CC2C(=O)O)n1
InChIInChI=1S/C17H26N4O5/c1-12(22)20-6-4-17(5-7-20)9-13(16(23)24)21(11-17)10-15-18-14(19-26-15)3-8-25-2/h13H,3-11H2,1-2H3,(H,23,24)
InChIKeyHJRIVTOTGWMMCC-UHFFFAOYSA-N
XLogP0.55
TPSA109.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56913813
(3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95860695
8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901025
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 61412293
[(4aS,6R,7aS)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 172896821
(3R)-8-acetyl-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875140
2-hydroxy-1-[6-hydroxy-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 74245034
1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
CID 163338329
8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56909362
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784953
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892074

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56883207) is 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COCCc1noc(CN2CC3(CCN(C(C)=O)CC3)CC2C(=O)O)n1.
What is the InChIKey of 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is HJRIVTOTGWMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-12(22)20-6-4-17(5-7-20)9-13(16(23)24)21(11-17)10-15-18-14(19-26-15)3-8-25-2/h13H,3-11H2,1-2H3,(H,23,24).
What are the key properties of 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56883207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).