3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid

C14H15NO5 — CID 5297510

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-20-10-4-2-9(3-5-10)11(8-14(18)19)15-12(16)6-7-13(15)17/h2-5,11H,6-8H2,1H3,(H,18,19)
InChIKeyIMBITNIFQCDHCX-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.36
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid

3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 5297510) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
PubChem CID5297510
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-20-10-4-2-9(3-5-10)11(8-14(18)19)15-12(16)6-7-13(15)17/h2-5,11H,6-8H2,1H3,(H,18,19)
InChIKeyIMBITNIFQCDHCX-UHFFFAOYSA-N
XLogP1.36
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid 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-Ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 2803369
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CID 2766023
3-Ethoxycarbonylamino-3-(4-methoxy-phenyl)-propionic acid
CID 650406
4-Methoxy-beta-[(2-phenylacetyl)amino]benzenepropanoic acid
CID 3237759
beta-[(Cyclohexylcarbonyl)amino]-4-methoxybenzenepropanoic acid
CID 3239143
1-[2-(4-Methoxy-phenyl)-ethyl]-5-oxo-pyrrolidine-3-carboxylic acid
CID 2959483
3-[(Phenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4178029
3-[(Cyclohexylcarbonyl)amino]-3-(4-isopropoxyphenyl)propanoic acid
CID 3238267
3-(Ethoxycarbonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 3238651
1-Butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 4961796
(2R,3R,4S)-4-(3,4-Difluoro-phenyl)-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
CID 10575356
(2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(3,4-difluoro-phenyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 10649122

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid (CID 5297510) is 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CC(=O)O)N2C(=O)CCC2=O)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is IMBITNIFQCDHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-20-10-4-2-9(3-5-10)11(8-14(18)19)15-12(16)6-7-13(15)17/h2-5,11H,6-8H2,1H3,(H,18,19).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 5297510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).