5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid

C12H11IN2O4 — CID 55178259

IUPAC5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
SMILESO=C1CCC(C(=O)Nc2ccc(I)cc2C(=O)O)N1
InChIInChI=1S/C12H11IN2O4/c13-6-1-2-8(7(5-6)12(18)19)15-11(17)9-3-4-10(16)14-9/h1-2,5,9H,3-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyQZQAXXJAKOQWHB-UHFFFAOYSA-N
MW374.13 g/mol
LogP1.21
Rot. Bonds3

About 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid

5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid (PubChem CID 55178259) has the molecular formula C12H11IN2O4 and a molecular weight of 374.13 g/mol. Its IUPAC name is 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
PubChem CID55178259
Molecular FormulaC12H11IN2O4
Molecular Weight374.13 g/mol
Exact Mass373.98
IUPAC Name5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
SMILESO=C1CCC(C(=O)Nc2ccc(I)cc2C(=O)O)N1
InChIInChI=1S/C12H11IN2O4/c13-6-1-2-8(7(5-6)12(18)19)15-11(17)9-3-4-10(16)14-9/h1-2,5,9H,3-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyQZQAXXJAKOQWHB-UHFFFAOYSA-N
XLogP1.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.13
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114039454
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
4-nitro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63110780
2-[(4-ethylpiperidine-2-carbonyl)amino]-5-iodobenzoic acid
CID 114428983
5-iodo-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63714017
5-iodo-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 63112031
5-iodo-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63110712
5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid (CID 55178259) is 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid is O=C1CCC(C(=O)Nc2ccc(I)cc2C(=O)O)N1.
What is the InChIKey of 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
The InChIKey is QZQAXXJAKOQWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O4/c13-6-1-2-8(7(5-6)12(18)19)15-11(17)9-3-4-10(16)14-9/h1-2,5,9H,3-4H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid?
5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid has a molecular weight of 374.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 55178259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).