6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C14H17FN2O2 — CID 90104225

IUPAC6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESNc1ccc(N2CCC3(CC2)CC3C(=O)O)c(F)c1
InChIInChI=1S/C14H17FN2O2/c15-11-7-9(16)1-2-12(11)17-5-3-14(4-6-17)8-10(14)13(18)19/h1-2,7,10H,3-6,8,16H2,(H,18,19)
InChIKeyAZLAGOFSCIZLHL-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.10
Rot. Bonds2

About 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 90104225) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID90104225
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESNc1ccc(N2CCC3(CC2)CC3C(=O)O)c(F)c1
InChIInChI=1S/C14H17FN2O2/c15-11-7-9(16)1-2-12(11)17-5-3-14(4-6-17)8-10(14)13(18)19/h1-2,7,10H,3-6,8,16H2,(H,18,19)
InChIKeyAZLAGOFSCIZLHL-UHFFFAOYSA-N
XLogP2.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 90104225) is 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Nc1ccc(N2CCC3(CC2)CC3C(=O)O)c(F)c1.
What is the InChIKey of 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is AZLAGOFSCIZLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-7-9(16)1-2-12(11)17-5-3-14(4-6-17)8-10(14)13(18)19/h1-2,7,10H,3-6,8,16H2,(H,18,19).
What are the key properties of 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 90104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).