tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate

C11H20FNO3 — CID 129370244

IUPACtert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-7(14)9-5-8(12)6-13(9)10(15)16-11(2,3)4/h7-9,14H,5-6H2,1-4H3/t7-,8+,9+/m1/s1
InChIKeyWIQBFZSZAPIRSH-VGMNWLOBSA-N
MW233.28 g/mol
LogP1.71
Rot. Bonds1

About tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate (PubChem CID 129370244) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
PubChem CID129370244
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-7(14)9-5-8(12)6-13(9)10(15)16-11(2,3)4/h7-9,14H,5-6H2,1-4H3/t7-,8+,9+/m1/s1
InChIKeyWIQBFZSZAPIRSH-VGMNWLOBSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-fluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537964
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
tert-butyl (2S,4S)-2-carbamothioyl-4-fluoropyrrolidine-1-carboxylate
CID 88899008
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl (2R,4S)-2-[cyano(1-ethoxyethoxy)methyl]-4-fluoropyrrolidine-1-carboxylate
CID 90821226
1-O-tert-butyl 2-O-methyl (4R)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68725739
tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 166040386
tert-butyl (2R,4S)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 121403612
tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate
CID 142672817

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate (CID 129370244) is tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate is C[C@@H](O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate?
The InChIKey is WIQBFZSZAPIRSH-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-7(14)9-5-8(12)6-13(9)10(15)16-11(2,3)4/h7-9,14H,5-6H2,1-4H3/t7-,8+,9+/m1/s1.
What are the key properties of tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 129370244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).