5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid

C11H10F2N2O3 — CID 168700498

IUPAC5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
SMILESNC1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1
InChIInChI=1S/C11H10F2N2O3/c12-7-3-8(13)9(2-6(7)11(17)18)15-4-5(14)1-10(15)16/h2-3,5H,1,4,14H2,(H,17,18)
InChIKeyBLMVHZAZZSZUCE-UHFFFAOYSA-N
MW256.21 g/mol
LogP0.73
Rot. Bonds2

About 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid

5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid (PubChem CID 168700498) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
PubChem CID168700498
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
SMILESNC1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1
InChIInChI=1S/C11H10F2N2O3/c12-7-3-8(13)9(2-6(7)11(17)18)15-4-5(14)1-10(15)16/h2-3,5H,1,4,14H2,(H,17,18)
InChIKeyBLMVHZAZZSZUCE-UHFFFAOYSA-N
XLogP0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic 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

5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703274
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168697665
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 168701054
2,5-difluoro-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715301
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
2-(4-amino-2-oxopyrrolidin-1-yl)-5-cyanobenzoic acid
CID 168700713
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-4-fluorobenzoate
CID 168699417
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
CID 168700589
methyl 1-(2,4-difluoro-5-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693295

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
The IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid (CID 168700498) is 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid.
What is the SMILES notation for 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
The canonical SMILES for 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid is NC1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1.
What is the InChIKey of 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
The InChIKey is BLMVHZAZZSZUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c12-7-3-8(13)9(2-6(7)11(17)18)15-4-5(14)1-10(15)16/h2-3,5H,1,4,14H2,(H,17,18).
What are the key properties of 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid has a molecular weight of 256.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid is sourced from PubChem (CID 168700498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).