(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid

C20H21N3O6 — CID 166426031

IUPAC(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid
SMILESO=C1CCC(N2Cc3ccc(C(=O)N4CCCC[C@@H]4C(=O)O)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H21N3O6/c24-16-7-6-14(17(25)21-16)23-10-12-5-4-11(9-13(12)19(23)27)18(26)22-8-2-1-3-15(22)20(28)29/h4-5,9,14-15H,1-3,6-8,10H2,(H,28,29)(H,21,24,25)/t14?,15-/m1/s1
InChIKeyWWCCOVYRUSSBEV-YSSOQSIOSA-N
MW399.40 g/mol
LogP0.53
Rot. Bonds3

About (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid (PubChem CID 166426031) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid
PubChem CID166426031
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid
SMILESO=C1CCC(N2Cc3ccc(C(=O)N4CCCC[C@@H]4C(=O)O)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H21N3O6/c24-16-7-6-14(17(25)21-16)23-10-12-5-4-11(9-13(12)19(23)27)18(26)22-8-2-1-3-15(22)20(28)29/h4-5,9,14-15H,1-3,6-8,10H2,(H,28,29)(H,21,24,25)/t14?,15-/m1/s1
InChIKeyWWCCOVYRUSSBEV-YSSOQSIOSA-N
XLogP0.53
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[3-oxo-5-(2-phenylazepane-1-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166409616
2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid
CID 166426025
3-[3-oxo-5-[(3S)-3-propan-2-ylpiperazine-1-carbonyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167853809
3-[6-[[(2S)-1-[(2S)-1-benzoylpyrrolidine-2-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512015
4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-4-methylpentanoic acid
CID 166426015
3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 166426009
3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512274
3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid (CID 166426031) is (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid is O=C1CCC(N2Cc3ccc(C(=O)N4CCCC[C@@H]4C(=O)O)cc3C2=O)C(=O)N1.
What is the InChIKey of (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is WWCCOVYRUSSBEV-YSSOQSIOSA-N. The full InChI is InChI=1S/C20H21N3O6/c24-16-7-6-14(17(25)21-16)23-10-12-5-4-11(9-13(12)19(23)27)18(26)22-8-2-1-3-15(22)20(28)29/h4-5,9,14-15H,1-3,6-8,10H2,(H,28,29)(H,21,24,25)/t14?,15-/m1/s1.
What are the key properties of (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 399.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 166426031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).