3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid

C15H16FNO4 — CID 59455439

IUPAC3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C15H16FNO4/c16-11-1-3-12(4-2-11)17-9-15(21-14(17)20)7-5-10(6-8-15)13(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyYVZUJOUKEURAKB-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid

3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 59455439) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID59455439
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C15H16FNO4/c16-11-1-3-12(4-2-11)17-9-15(21-14(17)20)7-5-10(6-8-15)13(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyYVZUJOUKEURAKB-UHFFFAOYSA-N
XLogP2.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid (CID 59455439) is 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)O2.
What is the InChIKey of 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is YVZUJOUKEURAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-11-1-3-12(4-2-11)17-9-15(21-14(17)20)7-5-10(6-8-15)13(18)19/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 59455439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).