4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid

C15H19NO2 — CID 79694724

IUPAC4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid
SMILESO=C(O)CCC(c1ccccc1)N1CC2(CC2)C1
InChIInChI=1S/C15H19NO2/c17-14(18)7-6-13(12-4-2-1-3-5-12)16-10-15(11-16)8-9-15/h1-5,13H,6-11H2,(H,17,18)
InChIKeyZQIGMIJIPSHJRN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.69
Rot. Bonds5

About 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid

4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid (PubChem CID 79694724) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid
PubChem CID79694724
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid
SMILESO=C(O)CCC(c1ccccc1)N1CC2(CC2)C1
InChIInChI=1S/C15H19NO2/c17-14(18)7-6-13(12-4-2-1-3-5-12)16-10-15(11-16)8-9-15/h1-5,13H,6-11H2,(H,17,18)
InChIKeyZQIGMIJIPSHJRN-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid?
The IUPAC name of 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid (CID 79694724) is 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid.
What is the SMILES notation for 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid?
The canonical SMILES for 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid is O=C(O)CCC(c1ccccc1)N1CC2(CC2)C1.
What is the InChIKey of 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid?
The InChIKey is ZQIGMIJIPSHJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)7-6-13(12-4-2-1-3-5-12)16-10-15(11-16)8-9-15/h1-5,13H,6-11H2,(H,17,18).
What are the key properties of 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid?
4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.3]hexan-5-yl)-4-phenylbutanoic acid is sourced from PubChem (CID 79694724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).