(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one

C26H27NO3 — CID 101449496

IUPAC(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H]([C@@H](O)Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C26H27NO3/c28-23(16-20-10-4-1-5-11-20)26-24(30-19-22-14-8-3-9-15-22)17-25(29)27(26)18-21-12-6-2-7-13-21/h1-15,23-24,26,28H,16-19H2/t23-,24-,26+/m0/s1
InChIKeyQECZLABBXWTPEX-KYPHJKQUSA-N
MW401.51 g/mol
LogP3.98
Rot. Bonds8

About (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one (PubChem CID 101449496) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
PubChem CID101449496
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H]([C@@H](O)Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C26H27NO3/c28-23(16-20-10-4-1-5-11-20)26-24(30-19-22-14-8-3-9-15-22)17-25(29)27(26)18-21-12-6-2-7-13-21/h1-15,23-24,26,28H,16-19H2/t23-,24-,26+/m0/s1
InChIKeyQECZLABBXWTPEX-KYPHJKQUSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one
CID 23660469
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
(4S,5R)-1-benzyl-4-phenylmethoxy-5-pyridin-2-ylsulfanylpyrrolidin-2-one
CID 71600742
(1R)-1-[(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]ethane-1,2-diol
CID 10961028
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728
[(2S,3S)-2-acetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 10637302
(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254
1-benzyl-4-(phenoxymethyl)azetidin-2-one
CID 132607413

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one (CID 101449496) is (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)[C@@H]([C@@H](O)Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is QECZLABBXWTPEX-KYPHJKQUSA-N. The full InChI is InChI=1S/C26H27NO3/c28-23(16-20-10-4-1-5-11-20)26-24(30-19-22-14-8-3-9-15-22)17-25(29)27(26)18-21-12-6-2-7-13-21/h1-15,23-24,26,28H,16-19H2/t23-,24-,26+/m0/s1.
What are the key properties of (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 101449496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).