benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate

C20H20FNO4 — CID 71895344

IUPACbenzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H20FNO4/c21-17-9-5-4-8-15(17)10-19(24)22-12-16(23)11-18(22)20(25)26-13-14-6-2-1-3-7-14/h1-9,16,18,23H,10-13H2
InChIKeyNWXOLHHCKCTZCE-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.07
Rot. Bonds5

About benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate

benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 71895344) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID71895344
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Namebenzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H20FNO4/c21-17-9-5-4-8-15(17)10-19(24)22-12-16(23)11-18(22)20(25)26-13-14-6-2-1-3-7-14/h1-9,16,18,23H,10-13H2
InChIKeyNWXOLHHCKCTZCE-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate (CID 71895344) is benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate is O=C(OCc1ccccc1)C1CC(O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is NWXOLHHCKCTZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-17-9-5-4-8-15(17)10-19(24)22-12-16(23)11-18(22)20(25)26-13-14-6-2-1-3-7-14/h1-9,16,18,23H,10-13H2.
What are the key properties of benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 71895344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).