(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate

C14H12N2O5 — CID 170915524

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate
SMILESO=C(ON1C(=O)CCC1=O)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2O5/c17-11-5-6-12(18)16(11)21-14(20)13(19)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,13,15,19H,5-6H2
InChIKeyGPSUVHFDRGVMBE-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.81
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate (PubChem CID 170915524) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate
PubChem CID170915524
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate
SMILESO=C(ON1C(=O)CCC1=O)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2O5/c17-11-5-6-12(18)16(11)21-14(20)13(19)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,13,15,19H,5-6H2
InChIKeyGPSUVHFDRGVMBE-UHFFFAOYSA-N
XLogP0.81
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
(2,5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 1218122
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
CID 13202935
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;1-bromopyrrolidine-2,5-dione
CID 87202822
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate
CID 67902992
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
CID 92855801
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate (CID 170915524) is (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate is O=C(ON1C(=O)CCC1=O)C(O)c1c[nH]c2ccccc12.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate?
The InChIKey is GPSUVHFDRGVMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c17-11-5-6-12(18)16(11)21-14(20)13(19)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,13,15,19H,5-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate has a molecular weight of 288.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 170915524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).