ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate

C15H18N2O4 — CID 61498380

IUPACethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-3-21-15(20)10(2)16-12-9-13(18)17(14(12)19)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3
InChIKeyMRULEOBKDCHXHO-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds5

About ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate

ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate (PubChem CID 61498380) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate
PubChem CID61498380
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-3-21-15(20)10(2)16-12-9-13(18)17(14(12)19)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3
InChIKeyMRULEOBKDCHXHO-UHFFFAOYSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]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

3-Anilino-1-phenylsuccinimide
CID 2792660
2-Oxo-2-[phenyl(2-propanyl)amino](2S)-2-(carbamoylamino)propanoate
CID 2122397
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylamino]-acetic acid ethyl ester
CID 2833569
3-Anilino-1-[4-(4-morpholinyl)phenyl]-2,5-pyrrolidinedione
CID 2883916
2-[[1-(4-Chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester
CID 2937026
(2-Methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl)acetic acid, ethyl ester
CID 3877893
2-[[1-(4-Fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
CID 2866595
Alpha-morpholino-N-phenylsuccinimide
CID 2732607
Ethyl 4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 2858122
methyl N-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-N-{[(4-fluorophenyl)amino]carbonothioyl}glycinate
CID 2872957
1-(4-Fluorophenyl)-3-(oxolan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 2942850
1-Cyclohexyl-3-((4-morpholinophenyl)amino)pyrrolidine-2,5-dione
CID 2947183

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate (CID 61498380) is ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate is CCOC(=O)C(C)NC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate?
The InChIKey is MRULEOBKDCHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-21-15(20)10(2)16-12-9-13(18)17(14(12)19)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate?
ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate has a molecular weight of 290.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 61498380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).