2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid

C17H23NO2 — CID 79687456

IUPAC2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1CC2(CCCCC2)C1
InChIInChI=1S/C17H23NO2/c19-16(20)15(11-14-7-3-1-4-8-14)18-12-17(13-18)9-5-2-6-10-17/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,20)
InChIKeyWAKJJHOMGLXOER-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid

2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid (PubChem CID 79687456) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
PubChem CID79687456
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1CC2(CCCCC2)C1
InChIInChI=1S/C17H23NO2/c19-16(20)15(11-14-7-3-1-4-8-14)18-12-17(13-18)9-5-2-6-10-17/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,20)
InChIKeyWAKJJHOMGLXOER-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid (CID 79687456) is 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N1CC2(CCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
The InChIKey is WAKJJHOMGLXOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(20)15(11-14-7-3-1-4-8-14)18-12-17(13-18)9-5-2-6-10-17/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,20).
What are the key properties of 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 79687456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).