2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid

C15H16INO3 — CID 168683746

IUPAC2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
SMILESC=CC1CC(=O)N(C(Cc2ccc(I)cc2)C(=O)O)C1
InChIInChI=1S/C15H16INO3/c1-2-10-8-14(18)17(9-10)13(15(19)20)7-11-3-5-12(16)6-4-11/h2-6,10,13H,1,7-9H2,(H,19,20)
InChIKeySQRQRKUPCHLLGB-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid

2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid (PubChem CID 168683746) has the molecular formula C15H16INO3 and a molecular weight of 385.20 g/mol. Its IUPAC name is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
PubChem CID168683746
Molecular FormulaC15H16INO3
Molecular Weight385.20 g/mol
Exact Mass385.02
IUPAC Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
SMILESC=CC1CC(=O)N(C(Cc2ccc(I)cc2)C(=O)O)C1
InChIInChI=1S/C15H16INO3/c1-2-10-8-14(18)17(9-10)13(15(19)20)7-11-3-5-12(16)6-4-11/h2-6,10,13H,1,7-9H2,(H,19,20)
InChIKeySQRQRKUPCHLLGB-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)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

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-(4-iodophenyl)propanoic acid
CID 168503431
(2S)-3-(3-bromophenyl)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683824
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168695921
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-(4-iodophenyl)propanoic acid
CID 168674934
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
(2S)-2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168704574
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
CID 168683828
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
3-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)propanoic acid
CID 168701665
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 168659021
5-(diaminomethylideneamino)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168683729
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid?
The IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid (CID 168683746) is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid is C=CC1CC(=O)N(C(Cc2ccc(I)cc2)C(=O)O)C1.
What is the InChIKey of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid?
The InChIKey is SQRQRKUPCHLLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO3/c1-2-10-8-14(18)17(9-10)13(15(19)20)7-11-3-5-12(16)6-4-11/h2-6,10,13H,1,7-9H2,(H,19,20).
What are the key properties of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid?
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid has a molecular weight of 385.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 168683746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).