amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione

C10H11N3O6 — CID 91185335

IUPACamino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione
SMILESNOC(=O)CN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C6H6N2O4.C4H5NO2/c7-12-6(11)3-8-4(9)1-2-5(8)10;6-3-1-2-4(7)5-3/h1-2H,3,7H2;1-2H2,(H,5,6,7)
InChIKeyGCAQLSMYGUCLAP-UHFFFAOYSA-N
MW269.21 g/mol
LogP-2.25
Rot. Bonds2

About amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione

amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione (PubChem CID 91185335) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameamino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione
PubChem CID91185335
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Nameamino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione
SMILESNOC(=O)CN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C6H6N2O4.C4H5NO2/c7-12-6(11)3-8-4(9)1-2-5(8)10;6-3-1-2-4(7)5-3/h1-2H,3,7H2;1-2H2,(H,5,6,7)
InChIKeyGCAQLSMYGUCLAP-UHFFFAOYSA-N
XLogP-2.25
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
Succinimidyl maleimidopropionate
CID 18546706
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 18653285
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 18673374
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 19597164
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
(2,5-Dioxopyrrolidin-4-id-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;uranium
CID 57552396
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535
(2,5-Dioxopyrrolidin-1-yl) 2-(1-ethyl-2,5-dioxopyrrol-1-ium-1-yl)acetate
CID 59237936
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;pyrrolidine-2,5-dione
CID 66628189
2-(2,5-Dioxopyrrol-1-yl)acetic acid;1-hydroxypyrrolidine-2,5-dione
CID 66890451
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 87534301

Frequently Asked Questions

What is the IUPAC name of amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione?
The IUPAC name of amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione (CID 91185335) is amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione.
What is the SMILES notation for amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione?
The canonical SMILES for amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione is NOC(=O)CN1C(=O)C=CC1=O.O=C1CCC(=O)N1.
What is the InChIKey of amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione?
The InChIKey is GCAQLSMYGUCLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4.C4H5NO2/c7-12-6(11)3-8-4(9)1-2-5(8)10;6-3-1-2-4(7)5-3/h1-2H,3,7H2;1-2H2,(H,5,6,7).
What are the key properties of amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione?
amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione has a molecular weight of 269.21 g/mol, XLogP of -2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione is sourced from PubChem (CID 91185335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).