[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate

C15H13N3O6 — CID 175130469

IUPAC[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate
SMILESNCC(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H13N3O6/c16-6-12(20)24-7-1-2-8-9(5-7)15(23)18(14(8)22)10-3-4-11(19)17-13(10)21/h1-2,5,10H,3-4,6,16H2,(H,17,19,21)
InChIKeyVWJPKKVWUGFAQB-UHFFFAOYSA-N
MW331.28 g/mol
LogP-1.05
Rot. Bonds3

About [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate

[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate (PubChem CID 175130469) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate
PubChem CID175130469
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate
SMILESNCC(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H13N3O6/c16-6-12(20)24-7-1-2-8-9(5-7)15(23)18(14(8)22)10-3-4-11(19)17-13(10)21/h1-2,5,10H,3-4,6,16H2,(H,17,19,21)
InChIKeyVWJPKKVWUGFAQB-UHFFFAOYSA-N
XLogP-1.05
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
5-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169449996
2-(2,6-dioxopiperidin-3-yl)-5-(6-oxoheptoxy)isoindole-1,3-dione
CID 134489038
5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176816727
2-(2,6-dioxopiperidin-3-yl)-5-[(2R)-2-methylbutoxy]isoindole-1,3-dione
CID 156729159
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 171554713
5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167508289
2-(2,6-dioxopiperidin-3-yl)-5-[3-(methylamino)propoxy]isoindole-1,3-dione;hydrochloride
CID 166064309
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 156828351
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride
CID 163297615
5-[2-(azetidin-3-yloxy)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156867219

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate (CID 175130469) is [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate is NCC(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate?
The InChIKey is VWJPKKVWUGFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6/c16-6-12(20)24-7-1-2-8-9(5-7)15(23)18(14(8)22)10-3-4-11(19)17-13(10)21/h1-2,5,10H,3-4,6,16H2,(H,17,19,21).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate?
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate has a molecular weight of 331.28 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate is sourced from PubChem (CID 175130469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).