2-fluoro-3-morpholin-4-ylpropanoic acid

C7H12FNO3 — CID 84655867

IUPAC2-fluoro-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(F)CN1CCOCC1
InChIInChI=1S/C7H12FNO3/c8-6(7(10)11)5-9-1-3-12-4-2-9/h6H,1-5H2,(H,10,11)
InChIKeyFGCAHFHJSPYCNY-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.26
Rot. Bonds3

About 2-fluoro-3-morpholin-4-ylpropanoic acid

2-fluoro-3-morpholin-4-ylpropanoic acid (PubChem CID 84655867) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-fluoro-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-fluoro-3-morpholin-4-ylpropanoic acid
PubChem CID84655867
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-fluoro-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(F)CN1CCOCC1
InChIInChI=1S/C7H12FNO3/c8-6(7(10)11)5-9-1-3-12-4-2-9/h6H,1-5H2,(H,10,11)
InChIKeyFGCAHFHJSPYCNY-UHFFFAOYSA-N
XLogP-0.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 2-fluoro-3-morpholin-4-ylpropanoic acid (CID 84655867) is 2-fluoro-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2-fluoro-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2-fluoro-3-morpholin-4-ylpropanoic acid is O=C(O)C(F)CN1CCOCC1.
What is the InChIKey of 2-fluoro-3-morpholin-4-ylpropanoic acid?
The InChIKey is FGCAHFHJSPYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-6(7(10)11)5-9-1-3-12-4-2-9/h6H,1-5H2,(H,10,11).
What are the key properties of 2-fluoro-3-morpholin-4-ylpropanoic acid?
2-fluoro-3-morpholin-4-ylpropanoic acid has a molecular weight of 177.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 84655867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).