2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C12H20FNO2 — CID 81114483

IUPAC2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CCCF
InChIInChI=1S/C12H20FNO2/c13-4-1-5-14-10-2-3-11(14)7-9(6-10)8-12(15)16/h9-11H,1-8H2,(H,15,16)
InChIKeyAEEMURWZBWMKQM-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.06
Rot. Bonds5

About 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 81114483) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID81114483
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CCCF
InChIInChI=1S/C12H20FNO2/c13-4-1-5-14-10-2-3-11(14)7-9(6-10)8-12(15)16/h9-11H,1-8H2,(H,15,16)
InChIKeyAEEMURWZBWMKQM-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 81114483) is 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2CCCF.
What is the InChIKey of 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is AEEMURWZBWMKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c13-4-1-5-14-10-2-3-11(14)7-9(6-10)8-12(15)16/h9-11H,1-8H2,(H,15,16).
What are the key properties of 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 229.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 81114483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).