3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid

C16H19NO3 — CID 105359864

IUPAC3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESO=C1CC2(CCC(c3ccccc3)CC2)C(C(=O)O)N1
InChIInChI=1S/C16H19NO3/c18-13-10-16(14(17-13)15(19)20)8-6-12(7-9-16)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,17,18)(H,19,20)
InChIKeyBTIGDYZZRMLHFD-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.30
Rot. Bonds2

About 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid

3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359864) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359864
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESO=C1CC2(CCC(c3ccccc3)CC2)C(C(=O)O)N1
InChIInChI=1S/C16H19NO3/c18-13-10-16(14(17-13)15(19)20)8-6-12(7-9-16)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,17,18)(H,19,20)
InChIKeyBTIGDYZZRMLHFD-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359864) is 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid is O=C1CC2(CCC(c3ccccc3)CC2)C(C(=O)O)N1.
What is the InChIKey of 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is BTIGDYZZRMLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-13-10-16(14(17-13)15(19)20)8-6-12(7-9-16)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,17,18)(H,19,20).
What are the key properties of 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid?
3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).