(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid

C9H14FNO3 — CID 155047109

IUPAC(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESO=C(O)N1[C@@H]2CCC[C@H]1[C@H](F)[C@@H](O)C2
InChIInChI=1S/C9H14FNO3/c10-8-6-3-1-2-5(4-7(8)12)11(6)9(13)14/h5-8,12H,1-4H2,(H,13,14)/t5-,6+,7+,8+/m1/s1
InChIKeyIJXSCJXTJIRNNC-KVPKETBZSA-N
MW203.21 g/mol
LogP0.99
Rot. Bonds

About (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid

(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid (PubChem CID 155047109) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
PubChem CID155047109
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESO=C(O)N1[C@@H]2CCC[C@H]1[C@H](F)[C@@H](O)C2
InChIInChI=1S/C9H14FNO3/c10-8-6-3-1-2-5(4-7(8)12)11(6)9(13)14/h5-8,12H,1-4H2,(H,13,14)/t5-,6+,7+,8+/m1/s1
InChIKeyIJXSCJXTJIRNNC-KVPKETBZSA-N
XLogP0.99
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The IUPAC name of (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid (CID 155047109) is (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid.
What is the SMILES notation for (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The canonical SMILES for (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid is O=C(O)N1[C@@H]2CCC[C@H]1[C@H](F)[C@@H](O)C2.
What is the InChIKey of (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The InChIKey is IJXSCJXTJIRNNC-KVPKETBZSA-N. The full InChI is InChI=1S/C9H14FNO3/c10-8-6-3-1-2-5(4-7(8)12)11(6)9(13)14/h5-8,12H,1-4H2,(H,13,14)/t5-,6+,7+,8+/m1/s1.
What are the key properties of (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid has a molecular weight of 203.21 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid is sourced from PubChem (CID 155047109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).