2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid

C13H15NO2 — CID 79687237

IUPAC2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CC2(CC2)C1
InChIInChI=1S/C13H15NO2/c15-12(16)11(10-4-2-1-3-5-10)14-8-13(9-14)6-7-13/h1-5,11H,6-9H2,(H,15,16)
InChIKeyJOQMLMIVZGWURH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.91
Rot. Bonds3

About 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid

2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid (PubChem CID 79687237) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
PubChem CID79687237
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CC2(CC2)C1
InChIInChI=1S/C13H15NO2/c15-12(16)11(10-4-2-1-3-5-10)14-8-13(9-14)6-7-13/h1-5,11H,6-9H2,(H,15,16)
InChIKeyJOQMLMIVZGWURH-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid
CID 79694724
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 113278959
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687147
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
CID 66391933
4-(2-azaspiro[3.4]octan-2-yl)-4-phenylbutanoic acid
CID 79695664
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-(1-methylpyrazol-4-yl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetic acid
CID 115289423
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid?
The IUPAC name of 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid (CID 79687237) is 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CC2(CC2)C1.
What is the InChIKey of 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid?
The InChIKey is JOQMLMIVZGWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12(16)11(10-4-2-1-3-5-10)14-8-13(9-14)6-7-13/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid?
2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid has a molecular weight of 217.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid is sourced from PubChem (CID 79687237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).