3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione

C11H12N2O6 — CID 145202618

IUPAC3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
SMILESO=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C7H7NO4.C4H5NO2/c9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7)
InChIKeyJNFQQUCKEPNIDP-UHFFFAOYSA-N
MW268.22 g/mol
LogP-1.19
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione

3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione (PubChem CID 145202618) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
PubChem CID145202618
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
SMILESO=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C7H7NO4.C4H5NO2/c9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7)
InChIKeyJNFQQUCKEPNIDP-UHFFFAOYSA-N
XLogP-1.19
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 23506201
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;pyrrolidine-2,5-dione
CID 66628189
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 66895472
3-(2,5-Dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 67003891
2,5-Dioxopyrrolidin-1-yl 3-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)propanoate
CID 88917925
Amino 2-(2,5-dioxopyrrol-1-yl)acetate;pyrrolidine-2,5-dione
CID 91185335
3-(3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)propanoic acid
CID 130246061
(Z)-4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-4-oxobut-2-enoic acid
CID 146387720
4-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
CID 158037053
3-(2,5-dioxopyrrol-1-yl)propanoic acid;N'-hydroxybutanediamide
CID 160379083
Acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 161464096

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione (CID 145202618) is 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione is O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
The InChIKey is JNFQQUCKEPNIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.C4H5NO2/c9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione has a molecular weight of 268.22 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 145202618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).