(3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one

C18H25NO3 — CID 163068284

IUPAC(3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one
SMILESCC[C@H](C)[C@H]1C[C@H]([C@@H](O)CC(=O)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C18H25NO3/c1-3-12(2)16-11-15(18(22)19-16)17(21)10-14(20)9-13-7-5-4-6-8-13/h4-8,12,15-17,21H,3,9-11H2,1-2H3,(H,19,22)/t12-,15+,16+,17-/m0/s1
InChIKeyXUYBKWQPNPBFTE-DXEWXGHRSA-N
MW303.40 g/mol
LogP2.10
Rot. Bonds7

About (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one

(3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one (PubChem CID 163068284) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one
PubChem CID163068284
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one
SMILESCC[C@H](C)[C@H]1C[C@H]([C@@H](O)CC(=O)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C18H25NO3/c1-3-12(2)16-11-15(18(22)19-16)17(21)10-14(20)9-13-7-5-4-6-8-13/h4-8,12,15-17,21H,3,9-11H2,1-2H3,(H,19,22)/t12-,15+,16+,17-/m0/s1
InChIKeyXUYBKWQPNPBFTE-DXEWXGHRSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one with MolForge

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Related Compounds

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Mls003171156
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3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
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(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one
CID 134964162
(1S,2R,3E,5R,7S,9E,11S,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-18-one
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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one (CID 163068284) is (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one is CC[C@H](C)[C@H]1C[C@H]([C@@H](O)CC(=O)Cc2ccccc2)C(=O)N1.
What is the InChIKey of (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one?
The InChIKey is XUYBKWQPNPBFTE-DXEWXGHRSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-12(2)16-11-15(18(22)19-16)17(21)10-14(20)9-13-7-5-4-6-8-13/h4-8,12,15-17,21H,3,9-11H2,1-2H3,(H,19,22)/t12-,15+,16+,17-/m0/s1.
What are the key properties of (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one?
(3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one has a molecular weight of 303.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(2S)-butan-2-yl]-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]pyrrolidin-2-one is sourced from PubChem (CID 163068284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).