(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one

C25H25NO3 — CID 15286682

IUPAC(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@](O)(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24-16-23(29-19-22-14-8-3-9-15-22)25(28,17-20-10-4-1-5-11-20)26(24)18-21-12-6-2-7-13-21/h1-15,23,28H,16-19H2/t23-,25+/m0/s1
InChIKeyVMCKUSPUFXMBQJ-UKILVPOCSA-N
MW387.48 g/mol
LogP3.94
Rot. Bonds7

About (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one (PubChem CID 15286682) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
PubChem CID15286682
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@](O)(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24-16-23(29-19-22-14-8-3-9-15-22)25(28,17-20-10-4-1-5-11-20)26(24)18-21-12-6-2-7-13-21/h1-15,23,28H,16-19H2/t23-,25+/m0/s1
InChIKeyVMCKUSPUFXMBQJ-UKILVPOCSA-N
XLogP3.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
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(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
CID 10657277
(1R,3R,5R)-3-[(1S)-1-hydroxypropyl]-1,5-diphenyl-6-[(1S)-1-phenylethyl]-2-oxa-6-azaspiro[3.3]heptan-7-one
CID 44432118
(1R,5R,7R,8S)-7-ethyl-8-hydroxy-1,5-diphenyl-2-[(1S)-1-phenylethyl]-6-oxa-2-azaspiro[3.4]octan-3-one
CID 44432119
(1R,3R,5S)-3-[(1S)-1-hydroxypropyl]-1,5-diphenyl-6-[(1S)-1-phenylethyl]-2-oxa-6-azaspiro[3.3]heptan-7-one
CID 44432120
(1S,5R,7R,8S)-7-ethyl-8-hydroxy-1,5-diphenyl-2-[(1S)-1-phenylethyl]-6-oxa-2-azaspiro[3.4]octan-3-one
CID 44432121
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(2S)-2-((alphaR)-alpha-Hydroxybenzyl)-4-benzylmorpholine-3-one
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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one (CID 15286682) is (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)[C@](O)(Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is VMCKUSPUFXMBQJ-UKILVPOCSA-N. The full InChI is InChI=1S/C25H25NO3/c27-24-16-23(29-19-22-14-8-3-9-15-22)25(28,17-20-10-4-1-5-11-20)26(24)18-21-12-6-2-7-13-21/h1-15,23,28H,16-19H2/t23-,25+/m0/s1.
What are the key properties of (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,5-dibenzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 15286682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).