4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid

C12H17FN2O4 — CID 90021673

IUPAC4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)N1CCC2(CN(C3CC3)C(=O)CO2)C(F)C1
InChIInChI=1S/C12H17FN2O4/c13-9-5-14(11(17)18)4-3-12(9)7-15(8-1-2-8)10(16)6-19-12/h8-9H,1-7H2,(H,17,18)
InChIKeyCKSVZONKNKPPLH-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.47
Rot. Bonds1

About 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid

4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 90021673) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID90021673
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)N1CCC2(CN(C3CC3)C(=O)CO2)C(F)C1
InChIInChI=1S/C12H17FN2O4/c13-9-5-14(11(17)18)4-3-12(9)7-15(8-1-2-8)10(16)6-19-12/h8-9H,1-7H2,(H,17,18)
InChIKeyCKSVZONKNKPPLH-UHFFFAOYSA-N
XLogP0.47
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid (CID 90021673) is 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid is O=C(O)N1CCC2(CN(C3CC3)C(=O)CO2)C(F)C1.
What is the InChIKey of 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is CKSVZONKNKPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c13-9-5-14(11(17)18)4-3-12(9)7-15(8-1-2-8)10(16)6-19-12/h8-9H,1-7H2,(H,17,18).
What are the key properties of 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 90021673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).