3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C8H13FN2O2 — CID 150941107

IUPAC3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNC2F
InChIInChI=1S/C8H13FN2O2/c9-6-8(5-10-6)1-3-11(4-2-8)7(12)13/h6,10H,1-5H2,(H,12,13)
InChIKeyLIBMIRWEQKCFKH-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.65
Rot. Bonds

About 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 150941107) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID150941107
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNC2F
InChIInChI=1S/C8H13FN2O2/c9-6-8(5-10-6)1-3-11(4-2-8)7(12)13/h6,10H,1-5H2,(H,12,13)
InChIKeyLIBMIRWEQKCFKH-UHFFFAOYSA-N
XLogP0.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 150941107) is 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CNC2F.
What is the InChIKey of 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is LIBMIRWEQKCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-6-8(5-10-6)1-3-11(4-2-8)7(12)13/h6,10H,1-5H2,(H,12,13).
What are the key properties of 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 188.20 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 150941107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).