6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C22H25NO3 — CID 120514748

IUPAC6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCCc1ccc3ccccc3c1)CC2
InChIInChI=1S/C22H25NO3/c24-20(23-12-10-22(11-13-23)15-19(22)21(25)26)7-3-4-16-8-9-17-5-1-2-6-18(17)14-16/h1-2,5-6,8-9,14,19H,3-4,7,10-13,15H2,(H,25,26)
InChIKeyWFFMXRGFRBXNHV-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.88
Rot. Bonds5

About 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514748) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514748
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCCc1ccc3ccccc3c1)CC2
InChIInChI=1S/C22H25NO3/c24-20(23-12-10-22(11-13-23)15-19(22)21(25)26)7-3-4-16-8-9-17-5-1-2-6-18(17)14-16/h1-2,5-6,8-9,14,19H,3-4,7,10-13,15H2,(H,25,26)
InChIKeyWFFMXRGFRBXNHV-UHFFFAOYSA-N
XLogP3.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174857
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466
6-[3-(4-methoxyphenyl)sulfanylpropanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174750
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175564
2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
CID 119178286
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136530
6-[4-(4-methylsulfonylphenoxy)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174479
1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
CID 52687569
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174732
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
6-[2-(4-bromo-3-fluorophenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514702

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514748) is 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)CCCc1ccc3ccccc3c1)CC2.
What is the InChIKey of 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is WFFMXRGFRBXNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-20(23-12-10-22(11-13-23)15-19(22)21(25)26)7-3-4-16-8-9-17-5-1-2-6-18(17)14-16/h1-2,5-6,8-9,14,19H,3-4,7,10-13,15H2,(H,25,26).
What are the key properties of 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).