(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one

C11H13NO2 — CID 11310032

IUPAC(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one
SMILESO=C1C[C@H](O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H13NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10-/m0/s1
InChIKeyAFEUCARVKFDANA-UWVGGRQHSA-N
MW191.23 g/mol
LogP0.48
Rot. Bonds2

About (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one

(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one (PubChem CID 11310032) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one
PubChem CID11310032
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one
SMILESO=C1C[C@H](O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H13NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10-/m0/s1
InChIKeyAFEUCARVKFDANA-UWVGGRQHSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Thr-Phe
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N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
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N-lactoyl-phenylalanine
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CID 145864195
N-[(2S)-2-[[(4R)-3-hydroxy-4-[[(2R)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-5-phenylpentanoyl]amino]propanoyl]-4-methylpentanamide
CID 44324955
(3S,4S)-3-hydroxy-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-5-phenylpentanamide
CID 118725174
CID 7009597
CID 7009597
CID 7010579
CID 7010579

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one (CID 11310032) is (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one is O=C1C[C@H](O)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one?
The InChIKey is AFEUCARVKFDANA-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one?
(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11310032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).