(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid

C17H13NO4 — CID 102370956

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO4/c1-17(16(21)22,11-7-3-2-4-8-11)18-14(19)12-9-5-6-10-13(12)15(18)20/h2-10H,1H3,(H,21,22)/t17-/m1/s1
InChIKeyOSSSMIUWHFOPJW-QGZVFWFLSA-N
MW295.29 g/mol
LogP2.28
Rot. Bonds3

About (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid

(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid (PubChem CID 102370956) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
PubChem CID102370956
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
SMILESC[C@](C(=O)O)(c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO4/c1-17(16(21)22,11-7-3-2-4-8-11)18-14(19)12-9-5-6-10-13(12)15(18)20/h2-10H,1H3,(H,21,22)/t17-/m1/s1
InChIKeyOSSSMIUWHFOPJW-QGZVFWFLSA-N
XLogP2.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.28
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

(2S)-2-(1,3-dioxoisoindol-2-yl)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 66624353
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 57007568
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
2-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylpropanoic acid
CID 58721880
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-(2,5-dioxopyrrolidin-1-yl)-2-pyridin-3-ylpropanoic acid
CID 114989812
methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-phenylpropanoate
CID 90089997
4-(1,3-dioxoisoindol-2-yl)-2,2,3,3-tetramethylpentanedioic acid
CID 66678764

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid (CID 102370956) is (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid is C[C@](C(=O)O)(c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid?
The InChIKey is OSSSMIUWHFOPJW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13NO4/c1-17(16(21)22,11-7-3-2-4-8-11)18-14(19)12-9-5-6-10-13(12)15(18)20/h2-10H,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid?
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid has a molecular weight of 295.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 102370956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).