2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid

C6H10FNO3 — CID 138731935

IUPAC2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1CNC[C@H]1F
InChIInChI=1S/C6H10FNO3/c7-4-1-8-2-5(4)11-3-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
InChIKeyWVGGOAYOQFKYOM-RFZPGFLSSA-N
MW163.15 g/mol
LogP-0.60
Rot. Bonds3

About 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid

2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid (PubChem CID 138731935) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid
PubChem CID138731935
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1CNC[C@H]1F
InChIInChI=1S/C6H10FNO3/c7-4-1-8-2-5(4)11-3-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
InChIKeyWVGGOAYOQFKYOM-RFZPGFLSSA-N
XLogP-0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid (CID 138731935) is 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid is O=C(O)CO[C@@H]1CNC[C@H]1F.
What is the InChIKey of 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid?
The InChIKey is WVGGOAYOQFKYOM-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-4-1-8-2-5(4)11-3-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid?
2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid has a molecular weight of 163.15 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid is sourced from PubChem (CID 138731935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).