methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate

C23H21NO5 — CID 57332306

IUPACmethyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(O)C[C@@H](c2ccccc2)[C@H](C(=O)c2ccco2)N1c1ccccc1
InChIInChI=1S/C23H21NO5/c1-28-22(26)23(27)15-18(16-9-4-2-5-10-16)20(21(25)19-13-8-14-29-19)24(23)17-11-6-3-7-12-17/h2-14,18,20,27H,15H2,1H3/t18-,20+,23-/m0/s1
InChIKeyKUFWQGKTSARNEY-NOXFTYBFSA-N
MW391.42 g/mol
LogP3.39
Rot. Bonds5

About methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate

methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate (PubChem CID 57332306) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate
PubChem CID57332306
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Namemethyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(O)C[C@@H](c2ccccc2)[C@H](C(=O)c2ccco2)N1c1ccccc1
InChIInChI=1S/C23H21NO5/c1-28-22(26)23(27)15-18(16-9-4-2-5-10-16)20(21(25)19-13-8-14-29-19)24(23)17-11-6-3-7-12-17/h2-14,18,20,27H,15H2,1H3/t18-,20+,23-/m0/s1
InChIKeyKUFWQGKTSARNEY-NOXFTYBFSA-N
XLogP3.39
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate (CID 57332306) is methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate is COC(=O)[C@@]1(O)C[C@@H](c2ccccc2)[C@H](C(=O)c2ccco2)N1c1ccccc1.
What is the InChIKey of methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate?
The InChIKey is KUFWQGKTSARNEY-NOXFTYBFSA-N. The full InChI is InChI=1S/C23H21NO5/c1-28-22(26)23(27)15-18(16-9-4-2-5-10-16)20(21(25)19-13-8-14-29-19)24(23)17-11-6-3-7-12-17/h2-14,18,20,27H,15H2,1H3/t18-,20+,23-/m0/s1.
What are the key properties of methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate?
methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 57332306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).