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

C5H9FN2O2 — CID 68806908

IUPAC[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CNC[C@H]1F
InChIInChI=1S/C5H9FN2O2/c6-3-1-7-2-4(3)8-5(9)10/h3-4,7-8H,1-2H2,(H,9,10)/t3-,4-/m1/s1
InChIKeyOWCJRUYEMKNSPH-QWWZWVQMSA-N
MW148.14 g/mol
LogP-0.44
Rot. Bonds1

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

[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid (PubChem CID 68806908) has the molecular formula C5H9FN2O2 and a molecular weight of 148.14 g/mol. Its IUPAC name is [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid
PubChem CID68806908
Molecular FormulaC5H9FN2O2
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CNC[C@H]1F
InChIInChI=1S/C5H9FN2O2/c6-3-1-7-2-4(3)8-5(9)10/h3-4,7-8H,1-2H2,(H,9,10)/t3-,4-/m1/s1
InChIKeyOWCJRUYEMKNSPH-QWWZWVQMSA-N
XLogP-0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid (CID 68806908) is [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CNC[C@H]1F.
What is the InChIKey of [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid?
The InChIKey is OWCJRUYEMKNSPH-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9FN2O2/c6-3-1-7-2-4(3)8-5(9)10/h3-4,7-8H,1-2H2,(H,9,10)/t3-,4-/m1/s1.
What are the key properties of [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid?
[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid has a molecular weight of 148.14 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-fluoropyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 68806908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).