6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid

C9H13FN2O3 — CID 118385709

IUPAC6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1CC2(CCN(C(=O)O)CC2F)CN1
InChIInChI=1S/C9H13FN2O3/c10-6-4-12(8(14)15)2-1-9(6)3-7(13)11-5-9/h6H,1-5H2,(H,11,13)(H,14,15)
InChIKeyYYQNOWUKDPEEPY-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.21
Rot. Bonds

About 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid

6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 118385709) has the molecular formula C9H13FN2O3 and a molecular weight of 216.21 g/mol. Its IUPAC name is 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID118385709
Molecular FormulaC9H13FN2O3
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1CC2(CCN(C(=O)O)CC2F)CN1
InChIInChI=1S/C9H13FN2O3/c10-6-4-12(8(14)15)2-1-9(6)3-7(13)11-5-9/h6H,1-5H2,(H,11,13)(H,14,15)
InChIKeyYYQNOWUKDPEEPY-UHFFFAOYSA-N
XLogP0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 118385709) is 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid is O=C1CC2(CCN(C(=O)O)CC2F)CN1.
What is the InChIKey of 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is YYQNOWUKDPEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3/c10-6-4-12(8(14)15)2-1-9(6)3-7(13)11-5-9/h6H,1-5H2,(H,11,13)(H,14,15).
What are the key properties of 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 216.21 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 118385709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).