tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate

C9H14FNO4 — CID 162392940

IUPACtert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)[C@H](F)C1=O
InChIInChI=1S/C9H14FNO4/c1-9(2,3)15-8(14)11-4-5(12)6(10)7(11)13/h5-6,12H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyKXZCQEZKERPVKA-WDSKDSINSA-N
MW219.21 g/mol
LogP0.46
Rot. Bonds

About tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate

tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 162392940) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate
PubChem CID162392940
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Nametert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)[C@H](F)C1=O
InChIInChI=1S/C9H14FNO4/c1-9(2,3)15-8(14)11-4-5(12)6(10)7(11)13/h5-6,12H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyKXZCQEZKERPVKA-WDSKDSINSA-N
XLogP0.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate (CID 162392940) is tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)[C@H](F)C1=O.
What is the InChIKey of tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is KXZCQEZKERPVKA-WDSKDSINSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-9(2,3)15-8(14)11-4-5(12)6(10)7(11)13/h5-6,12H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-fluoro-4-hydroxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 162392940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).