2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione

C17H13NO4 — CID 11140972

IUPAC2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)[C@H](CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO4/c19-10-14(15(20)11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h1-9,14,19H,10H2/t14-/m0/s1
InChIKeyNXBSFAROGXJLDX-AWEZNQCLSA-N
MW295.29 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione

2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione (PubChem CID 11140972) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione
PubChem CID11140972
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)[C@H](CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO4/c19-10-14(15(20)11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h1-9,14,19H,10H2/t14-/m0/s1
InChIKeyNXBSFAROGXJLDX-AWEZNQCLSA-N
XLogP1.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[[(2R)-2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid
CID 11970104
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
CID 130960815
2,2,3,3-tetradeuterio-4-(1,3-dioxoisoindol-2-yl)pentanedioic acid
CID 87103523
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7784391
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-(2-formylphenyl)propanoic acid
CID 101249353
(2-cyanophenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22771068
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-diphenylphosphorylpropanoic acid
CID 22829099
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methoxybutanoic acid
CID 102042590
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoate
CID 11139950

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione (CID 11140972) is 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione is O=C(c1ccccc1)[C@H](CO)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione?
The InChIKey is NXBSFAROGXJLDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H13NO4/c19-10-14(15(20)11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h1-9,14,19H,10H2/t14-/m0/s1.
What are the key properties of 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione?
2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione has a molecular weight of 295.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-hydroxy-1-oxo-1-phenylpropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 11140972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).