2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

C20H27NO6 — CID 138807867

IUPAC2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccccc1OC(C)(C)C(=O)N1CC(C(=O)O)C2(CCOCC2)C1
InChIInChI=1S/C20H27NO6/c1-19(2,27-16-7-5-4-6-15(16)25-3)18(24)21-12-14(17(22)23)20(13-21)8-10-26-11-9-20/h4-7,14H,8-13H2,1-3H3,(H,22,23)
InChIKeyHECKCOIUVDLMBT-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.19
Rot. Bonds5

About 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 138807867) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID138807867
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccccc1OC(C)(C)C(=O)N1CC(C(=O)O)C2(CCOCC2)C1
InChIInChI=1S/C20H27NO6/c1-19(2,27-16-7-5-4-6-15(16)25-3)18(24)21-12-14(17(22)23)20(13-21)8-10-26-11-9-20/h4-7,14H,8-13H2,1-3H3,(H,22,23)
InChIKeyHECKCOIUVDLMBT-UHFFFAOYSA-N
XLogP2.19
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

2-[2-(1,1,2,2-tetrafluoroethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599536
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809547
2-(2-methoxyphenoxy)-2-methyl-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one
CID 135095067
2-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598536
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 56882429
1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 95123683
2-(5-methoxypyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167765410
2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 121199824
2-[3-(2,2-dimethylpropanoylamino)-2-methylbenzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138810462
2-[(4-fluoro-3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598964
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
2-[[3-(trifluoromethoxy)phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (CID 138807867) is 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is COc1ccccc1OC(C)(C)C(=O)N1CC(C(=O)O)C2(CCOCC2)C1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is HECKCOIUVDLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6/c1-19(2,27-16-7-5-4-6-15(16)25-3)18(24)21-12-14(17(22)23)20(13-21)8-10-26-11-9-20/h4-7,14H,8-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 138807867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).