2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid

C12H12ClN3O4 — CID 106191652

IUPAC2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C1CC(NC(=O)Nc2ccc(Cl)c(C(=O)O)c2)CN1
InChIInChI=1S/C12H12ClN3O4/c13-9-2-1-6(3-8(9)11(18)19)15-12(20)16-7-4-10(17)14-5-7/h1-3,7H,4-5H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyOQQLUZJWVJHNMI-UHFFFAOYSA-N
MW297.70 g/mol
LogP1.05
Rot. Bonds3

About 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid

2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid (PubChem CID 106191652) has the molecular formula C12H12ClN3O4 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
PubChem CID106191652
Molecular FormulaC12H12ClN3O4
Molecular Weight297.70 g/mol
Exact Mass297.05
IUPAC Name2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C1CC(NC(=O)Nc2ccc(Cl)c(C(=O)O)c2)CN1
InChIInChI=1S/C12H12ClN3O4/c13-9-2-1-6(3-8(9)11(18)19)15-12(20)16-7-4-10(17)14-5-7/h1-3,7H,4-5H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyOQQLUZJWVJHNMI-UHFFFAOYSA-N
XLogP1.05
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic 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

4-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191950
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 75523060
2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106197594
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
CID 106197622
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106189904
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 61399256
2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63661272
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid (CID 106191652) is 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid is O=C1CC(NC(=O)Nc2ccc(Cl)c(C(=O)O)c2)CN1.
What is the InChIKey of 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid?
The InChIKey is OQQLUZJWVJHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4/c13-9-2-1-6(3-8(9)11(18)19)15-12(20)16-7-4-10(17)14-5-7/h1-3,7H,4-5H2,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid?
2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid has a molecular weight of 297.70 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 106191652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).