3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid

C11H10BrNO4 — CID 168703162

IUPAC3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(Br)c1N1CC(O)CC1=O
InChIInChI=1S/C11H10BrNO4/c12-8-3-1-2-7(11(16)17)10(8)13-5-6(14)4-9(13)15/h1-3,6,14H,4-5H2,(H,16,17)
InChIKeySWAAQYAVHCNVHQ-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.24
Rot. Bonds2

About 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid

3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 168703162) has the molecular formula C11H10BrNO4 and a molecular weight of 300.11 g/mol. Its IUPAC name is 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID168703162
Molecular FormulaC11H10BrNO4
Molecular Weight300.11 g/mol
Exact Mass298.98
IUPAC Name3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(Br)c1N1CC(O)CC1=O
InChIInChI=1S/C11H10BrNO4/c12-8-3-1-2-7(11(16)17)10(8)13-5-6(14)4-9(13)15/h1-3,6,14H,4-5H2,(H,16,17)
InChIKeySWAAQYAVHCNVHQ-UHFFFAOYSA-N
XLogP1.24
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
3-hydroxy-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709745
3-chloro-2-(4-chloro-2-oxopyrrolidin-1-yl)benzoic acid
CID 168688895
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
3-fluoro-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682246
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-bromobenzoate
CID 168659522
2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
CID 168703296

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (CID 168703162) is 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1cccc(Br)c1N1CC(O)CC1=O.
What is the InChIKey of 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is SWAAQYAVHCNVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4/c12-8-3-1-2-7(11(16)17)10(8)13-5-6(14)4-9(13)15/h1-3,6,14H,4-5H2,(H,16,17).
What are the key properties of 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 300.11 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168703162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).