2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid

C13H13BrN2O4 — CID 115295806

IUPAC2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC1=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C13H13BrN2O4/c14-10-4-3-8(6-9(10)13(19)20)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7H2,(H,15,17)(H,19,20)
InChIKeyAXOYMPIVXXIZAL-UHFFFAOYSA-N
MW341.16 g/mol
LogP1.71
Rot. Bonds4

About 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid

2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 115295806) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
PubChem CID115295806
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Name2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC1=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C13H13BrN2O4/c14-10-4-3-8(6-9(10)13(19)20)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7H2,(H,15,17)(H,19,20)
InChIKeyAXOYMPIVXXIZAL-UHFFFAOYSA-N
XLogP1.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
2-bromo-5-[(2-tert-butylsulfanylacetyl)amino]benzoic acid
CID 115295599
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43153756
2-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17474217
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81003857
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid (CID 115295806) is 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid is O=C(CN1CCCC1=O)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is AXOYMPIVXXIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c14-10-4-3-8(6-9(10)13(19)20)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7H2,(H,15,17)(H,19,20).
What are the key properties of 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 341.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 115295806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).