3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H19IN2O3 — CID 63148388

IUPAC3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C15H19IN2O3/c1-2-15(14(20)21)6-7-18(10-15)9-13(19)17-12-5-3-4-11(16)8-12/h3-5,8H,2,6-7,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyGZIBAZNHYDHUBF-UHFFFAOYSA-N
MW402.23 g/mol
LogP2.42
Rot. Bonds5

About 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148388) has the molecular formula C15H19IN2O3 and a molecular weight of 402.23 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148388
Molecular FormulaC15H19IN2O3
Molecular Weight402.23 g/mol
Exact Mass402.04
IUPAC Name3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C15H19IN2O3/c1-2-15(14(20)21)6-7-18(10-15)9-13(19)17-12-5-3-4-11(16)8-12/h3-5,8H,2,6-7,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyGZIBAZNHYDHUBF-UHFFFAOYSA-N
XLogP2.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic 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-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83063398
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
2-[1-[2-(3-iodoanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684262
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324880
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148712
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818414
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148782
3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148892

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63148388) is 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(=O)Nc2cccc(I)c2)C1.
What is the InChIKey of 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GZIBAZNHYDHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O3/c1-2-15(14(20)21)6-7-18(10-15)9-13(19)17-12-5-3-4-11(16)8-12/h3-5,8H,2,6-7,9-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 402.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).