(1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C8H12FNO3 — CID 172774178

IUPAC(1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1[C@H]2CC[C@@H]1[C@H](F)[C@H](O)C2
InChIInChI=1S/C8H12FNO3/c9-7-5-2-1-4(3-6(7)11)10(5)8(12)13/h4-7,11H,1-3H2,(H,12,13)/t4-,5+,6+,7-/m0/s1
InChIKeyNIZHULDUDYLSHV-WNJXEPBRSA-N
MW189.19 g/mol
LogP0.60
Rot. Bonds

About (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

(1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 172774178) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID172774178
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name(1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1[C@H]2CC[C@@H]1[C@H](F)[C@H](O)C2
InChIInChI=1S/C8H12FNO3/c9-7-5-2-1-4(3-6(7)11)10(5)8(12)13/h4-7,11H,1-3H2,(H,12,13)/t4-,5+,6+,7-/m0/s1
InChIKeyNIZHULDUDYLSHV-WNJXEPBRSA-N
XLogP0.60
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 172774178) is (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)N1[C@H]2CC[C@@H]1[C@H](F)[C@H](O)C2.
What is the InChIKey of (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is NIZHULDUDYLSHV-WNJXEPBRSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-7-5-2-1-4(3-6(7)11)10(5)8(12)13/h4-7,11H,1-3H2,(H,12,13)/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
(1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 189.19 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 172774178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).