(2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid

C13H12N2O4S — CID 3246412

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid
SMILESO=C(O)[C@H]([C@H]1NCCS1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H12N2O4S/c16-11-7-3-1-2-4-8(7)12(17)15(11)9(13(18)19)10-14-5-6-20-10/h1-4,9-10,14H,5-6H2,(H,18,19)/t9-,10-/m0/s1
InChIKeyQNFIQGFJXILBFE-UWVGGRQHSA-N
MW292.32 g/mol
LogP0.40
Rot. Bonds3

About (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid

(2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid (PubChem CID 3246412) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid
PubChem CID3246412
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid
SMILESO=C(O)[C@H]([C@H]1NCCS1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H12N2O4S/c16-11-7-3-1-2-4-8(7)12(17)15(11)9(13(18)19)10-14-5-6-20-10/h1-4,9-10,14H,5-6H2,(H,18,19)/t9-,10-/m0/s1
InChIKeyQNFIQGFJXILBFE-UWVGGRQHSA-N
XLogP0.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid (CID 3246412) is (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid is O=C(O)[C@H]([C@H]1NCCS1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid?
The InChIKey is QNFIQGFJXILBFE-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-11-7-3-1-2-4-8(7)12(17)15(11)9(13(18)19)10-14-5-6-20-10/h1-4,9-10,14H,5-6H2,(H,18,19)/t9-,10-/m0/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid?
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-2-[(2S)-1,3-thiazolidin-2-yl]acetic acid is sourced from PubChem (CID 3246412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).