(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one

C30H32N2O4 — CID 53349746

IUPAC(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2cccc([C@@H]3CCC(=O)N3[C@@H](CO)c3ccccc3)c2)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C30H32N2O4/c33-19-27(21-8-3-1-4-9-21)31-25(14-16-29(31)35)23-12-7-13-24(18-23)26-15-17-30(36)32(26)28(20-34)22-10-5-2-6-11-22/h1-13,18,25-28,33-34H,14-17,19-20H2/t25-,26-,27-,28-/m0/s1
InChIKeyJQJIHARJZYLFTB-LJWNLINESA-N
MW484.60 g/mol
LogP4.48
Rot. Bonds8

About (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one

(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one (PubChem CID 53349746) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
PubChem CID53349746
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2cccc([C@@H]3CCC(=O)N3[C@@H](CO)c3ccccc3)c2)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C30H32N2O4/c33-19-27(21-8-3-1-4-9-21)31-25(14-16-29(31)35)23-12-7-13-24(18-23)26-15-17-30(36)32(26)28(20-34)22-10-5-2-6-11-22/h1-13,18,25-28,33-34H,14-17,19-20H2/t25-,26-,27-,28-/m0/s1
InChIKeyJQJIHARJZYLFTB-LJWNLINESA-N
XLogP4.48
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
CID 174483543
(3R,7aR)-7a-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 53349747
(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one
CID 68928206
(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
CID 146633652
(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
CID 11357004
(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
CID 11276994
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
methyl (2R,3S)-2-(benzylcarbamoyl)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-oxopiperidine-3-carboxylate
CID 71567821
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
(3R)-2-[(1S)-2-hydroxy-1-phenylethyl]-3-phenyl-3H-isoindol-1-one
CID 15422849

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one (CID 53349746) is (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one is O=C1CC[C@@H](c2cccc([C@@H]3CCC(=O)N3[C@@H](CO)c3ccccc3)c2)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one?
The InChIKey is JQJIHARJZYLFTB-LJWNLINESA-N. The full InChI is InChI=1S/C30H32N2O4/c33-19-27(21-8-3-1-4-9-21)31-25(14-16-29(31)35)23-12-7-13-24(18-23)26-15-17-30(36)32(26)28(20-34)22-10-5-2-6-11-22/h1-13,18,25-28,33-34H,14-17,19-20H2/t25-,26-,27-,28-/m0/s1.
What are the key properties of (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one?
(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one has a molecular weight of 484.60 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 53349746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).