propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate

C10H11NO5 — CID 87214553

IUPACpropanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCCC(=O)OC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO5/c1-2-9(14)16-10(15)5-6-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3
InChIKeyFPYPTZIHDSMVBP-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.22
Rot. Bonds4

About propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate

propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 87214553) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Namepropanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID87214553
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namepropanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCCC(=O)OC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO5/c1-2-9(14)16-10(15)5-6-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3
InChIKeyFPYPTZIHDSMVBP-UHFFFAOYSA-N
XLogP-0.22
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate 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

(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate
CID 227681
3-Maleimidopropionic acid
CID 573621
Maleimidomethyl-3-maleimido propionate
CID 133308
3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2-dimethylpropanoic acid
CID 115427578
3-(2,5-Dioxopyrrol-1-yl)-2-fluoropropanoate
CID 167333145
Fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 142028939
3-(2,5-Dioxopyrrol-1-yl)propanoate
CID 7004986
Ethyl 3-[methyl(prop-2-enoyl)amino]propanoate
CID 11126961
ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 11171588
1H-Pyrrole-1-propanoic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CID 11571913
4-Ethoxybutyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 17857411
2-Ethoxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 17857425

Frequently Asked Questions

What is the IUPAC name of propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 87214553) is propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate is CCC(=O)OC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is FPYPTZIHDSMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-9(14)16-10(15)5-6-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3.
What are the key properties of propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 225.20 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 87214553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).