2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

C17H20FNO5 — CID 138809547

IUPAC2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CC(C(=O)O)C3(CCOCC3)C2)cc1F
InChIInChI=1S/C17H20FNO5/c1-23-14-3-2-11(8-13(14)18)15(20)19-9-12(16(21)22)17(10-19)4-6-24-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3,(H,21,22)
InChIKeyDBFZLQZUCFLMLF-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.79
Rot. Bonds3

About 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 138809547) has the molecular formula C17H20FNO5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID138809547
Molecular FormulaC17H20FNO5
Molecular Weight337.35 g/mol
Exact Mass337.13
IUPAC Name2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CC(C(=O)O)C3(CCOCC3)C2)cc1F
InChIInChI=1S/C17H20FNO5/c1-23-14-3-2-11(8-13(14)18)15(20)19-9-12(16(21)22)17(10-19)4-6-24-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3,(H,21,22)
InChIKeyDBFZLQZUCFLMLF-UHFFFAOYSA-N
XLogP1.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxypyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167765410
2-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598536
2-[(4-fluoro-3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598964
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
(3-fluoro-4-methoxyphenyl)-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 127248054
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138807867
(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 164629646
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
(3-fluoro-4-methoxyphenyl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 97485481
2-[2-(3,4,5-trifluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598867

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (CID 138809547) is 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is COc1ccc(C(=O)N2CC(C(=O)O)C3(CCOCC3)C2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is DBFZLQZUCFLMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO5/c1-23-14-3-2-11(8-13(14)18)15(20)19-9-12(16(21)22)17(10-19)4-6-24-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3,(H,21,22).
What are the key properties of 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 138809547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).