1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H11IN2O3 — CID 168691866

IUPAC1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1ccc(I)cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H11IN2O3/c12-7-1-2-8(13)9(4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,16,17)
InChIKeyPUCUQUARGIGYEJ-UHFFFAOYSA-N
MW346.12 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691866) has the molecular formula C11H11IN2O3 and a molecular weight of 346.12 g/mol. Its IUPAC name is 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691866
Molecular FormulaC11H11IN2O3
Molecular Weight346.12 g/mol
Exact Mass345.98
IUPAC Name1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1ccc(I)cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H11IN2O3/c12-7-1-2-8(13)9(4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,16,17)
InChIKeyPUCUQUARGIGYEJ-UHFFFAOYSA-N
XLogP1.31
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[1-(2-amino-5-iodophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706789
1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692175
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-iodobenzoic acid
CID 168697968
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
1-(2-amino-4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
1-(2-amino-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691859
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691005
1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3S)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 100804800
4-iodo-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709837
(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076266

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691866) is 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid is Nc1ccc(I)cc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PUCUQUARGIGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O3/c12-7-1-2-8(13)9(4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,16,17).
What are the key properties of 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 346.12 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).