(3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one

C25H25NO4 — CID 134917904

IUPAC(3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one
SMILESO=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(O)N1Cc1ccccc1
InChIInChI=1S/C25H25NO4/c27-24-22(29-17-20-12-6-2-7-13-20)23(30-18-21-14-8-3-9-15-21)25(28)26(24)16-19-10-4-1-5-11-19/h1-15,22-24,27H,16-18H2/t22-,23-,24?/m1/s1
InChIKeyASWPNDPCIACXRP-YOQGVNIDSA-N
MW403.48 g/mol
LogP3.52
Rot. Bonds8

About (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one

(3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one (PubChem CID 134917904) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one
PubChem CID134917904
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one
SMILESO=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(O)N1Cc1ccccc1
InChIInChI=1S/C25H25NO4/c27-24-22(29-17-20-12-6-2-7-13-20)23(30-18-21-14-8-3-9-15-21)25(28)26(24)16-19-10-4-1-5-11-19/h1-15,22-24,27H,16-18H2/t22-,23-,24?/m1/s1
InChIKeyASWPNDPCIACXRP-YOQGVNIDSA-N
XLogP3.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one (CID 134917904) is (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one is O=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(O)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
The InChIKey is ASWPNDPCIACXRP-YOQGVNIDSA-N. The full InChI is InChI=1S/C25H25NO4/c27-24-22(29-17-20-12-6-2-7-13-20)23(30-18-21-14-8-3-9-15-21)25(28)26(24)16-19-10-4-1-5-11-19/h1-15,22-24,27H,16-18H2/t22-,23-,24?/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one?
(3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)pyrrolidin-2-one is sourced from PubChem (CID 134917904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).