6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C17H21NO4 — CID 119128135

IUPAC6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C17H21NO4/c1-22-14-5-3-2-4-12(14)10-15(19)18-8-6-17(7-9-18)11-13(17)16(20)21/h2-5,13H,6-11H2,1H3,(H,20,21)
InChIKeyORJUMXINXUAHMM-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.95
Rot. Bonds4

About 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119128135) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119128135
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C17H21NO4/c1-22-14-5-3-2-4-12(14)10-15(19)18-8-6-17(7-9-18)11-13(17)16(20)21/h2-5,13H,6-11H2,1H3,(H,20,21)
InChIKeyORJUMXINXUAHMM-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514837
6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175386
6-[2-(2-fluorophenoxy)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175575
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175180
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
[(2S)-6-benzoyl-6-azaspiro[2.5]octan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 125162163
6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175152
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone
CID 91888910
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119128135) is 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is COc1ccccc1CC(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is ORJUMXINXUAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-22-14-5-3-2-4-12(14)10-15(19)18-8-6-17(7-9-18)11-13(17)16(20)21/h2-5,13H,6-11H2,1H3,(H,20,21).
What are the key properties of 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119128135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).