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

C5H9FN2O2 — CID 68806896

IUPAC[(3S,4S)-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-/m0/s1
InChIKeyOWCJRUYEMKNSPH-IMJSIDKUSA-N
MW148.14 g/mol
LogP-0.44
Rot. Bonds1

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

[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid (PubChem CID 68806896) has the molecular formula C5H9FN2O2 and a molecular weight of 148.14 g/mol. Its IUPAC name is [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid
PubChem CID68806896
Molecular FormulaC5H9FN2O2
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name[(3S,4S)-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-/m0/s1
InChIKeyOWCJRUYEMKNSPH-IMJSIDKUSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid (CID 68806896) is [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid is O=C(O)N[C@H]1CNC[C@@H]1F.
What is the InChIKey of [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid?
The InChIKey is OWCJRUYEMKNSPH-IMJSIDKUSA-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-/m0/s1.
What are the key properties of [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid?
[(3S,4S)-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 [(3S,4S)-4-fluoropyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 68806896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).