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

C17H23NO2 — CID 79687147

IUPAC3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)N1CC2(CCCCC2)C1
InChIInChI=1S/C17H23NO2/c19-16(20)11-15(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)
InChIKeyRNFIJKBBANKJOS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.47
Rot. Bonds4

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

3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid (PubChem CID 79687147) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
PubChem CID79687147
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)N1CC2(CCCCC2)C1
InChIInChI=1S/C17H23NO2/c19-16(20)11-15(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)
InChIKeyRNFIJKBBANKJOS-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-azaspiro[3.4]octan-2-yl)-4-phenylbutanoic acid
CID 79695664
4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid
CID 79694724
3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 63161254
3-(2-azaspiro[3.6]decan-2-yl)butanoic acid
CID 79686841
2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687456
2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
CID 79687237
3-(2-azaspiro[3.5]nonan-2-yl)-3-cyclopropylpropanoic acid
CID 82003395
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropanoic acid
CID 63066913
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 10265079
8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 107863747
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid (CID 79687147) is 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)N1CC2(CCCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
The InChIKey is RNFIJKBBANKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(20)11-15(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 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid?
3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 79687147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).