1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione

C12H13NO3 — CID 71354940

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C12H13NO3/c14-8-10(9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10,14H,6-8H2/t10-/m1/s1
InChIKeyZLINDUHWXXJDAX-SNVBAGLBSA-N
MW219.24 g/mol
LogP0.87
Rot. Bonds3

About 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione

1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 71354940) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
PubChem CID71354940
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C12H13NO3/c14-8-10(9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10,14H,6-8H2/t10-/m1/s1
InChIKeyZLINDUHWXXJDAX-SNVBAGLBSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
CID 95027251
8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 107863747
ethyl 1-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 101250288
1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 70627664
3-[(1S)-2-hydroxy-1-phenylethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107863631
1-[(1R)-2-hydroxy-1-phenylethyl]-3-methylpyrrole-2,5-dione
CID 107863751
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
1-[(1R)-2-hydroxy-1-phenylethyl]imidazolidin-2-one
CID 107863748
1-(2-hydroxy-1-phenylethyl)imidazolidin-2-one
CID 112756247
(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
1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one
CID 24761280

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione (CID 71354940) is 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is ZLINDUHWXXJDAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO3/c14-8-10(9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10,14H,6-8H2/t10-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione?
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71354940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).