benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate

C20H20FNO5 — CID 67157509

IUPACbenzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESO=C(O[C@H]1[C@H](O)CN(C(=O)OCc2ccccc2)[C@H]1CF)c1ccccc1
InChIInChI=1S/C20H20FNO5/c21-11-16-18(27-19(24)15-9-5-2-6-10-15)17(23)12-22(16)20(25)26-13-14-7-3-1-4-8-14/h1-10,16-18,23H,11-13H2/t16-,17+,18+/m0/s1
InChIKeyCPWPMPOMVZYZHR-RCCFBDPRSA-N
MW373.38 g/mol
LogP2.56
Rot. Bonds5

About benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate

benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 67157509) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID67157509
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Namebenzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESO=C(O[C@H]1[C@H](O)CN(C(=O)OCc2ccccc2)[C@H]1CF)c1ccccc1
InChIInChI=1S/C20H20FNO5/c21-11-16-18(27-19(24)15-9-5-2-6-10-15)17(23)12-22(16)20(25)26-13-14-7-3-1-4-8-14/h1-10,16-18,23H,11-13H2/t16-,17+,18+/m0/s1
InChIKeyCPWPMPOMVZYZHR-RCCFBDPRSA-N
XLogP2.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate (CID 67157509) is benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate is O=C(O[C@H]1[C@H](O)CN(C(=O)OCc2ccccc2)[C@H]1CF)c1ccccc1.
What is the InChIKey of benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is CPWPMPOMVZYZHR-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H20FNO5/c21-11-16-18(27-19(24)15-9-5-2-6-10-15)17(23)12-22(16)20(25)26-13-14-7-3-1-4-8-14/h1-10,16-18,23H,11-13H2/t16-,17+,18+/m0/s1.
What are the key properties of benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate?
benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 373.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R,4R)-3-benzoyloxy-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67157509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).