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

C11H11NO5 — CID 168703238

IUPAC3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(O)c1N1CC(O)CC1=O
InChIInChI=1S/C11H11NO5/c13-6-4-9(15)12(5-6)10-7(11(16)17)2-1-3-8(10)14/h1-3,6,13-14H,4-5H2,(H,16,17)
InChIKeyBYMOGGIWGPHREP-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.19
Rot. Bonds2

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

3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 168703238) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID168703238
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(O)c1N1CC(O)CC1=O
InChIInChI=1S/C11H11NO5/c13-6-4-9(15)12(5-6)10-7(11(16)17)2-1-3-8(10)14/h1-3,6,13-14H,4-5H2,(H,16,17)
InChIKeyBYMOGGIWGPHREP-UHFFFAOYSA-N
XLogP0.19
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703162
3-hydroxy-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709745
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
3-chloro-2-(4-chloro-2-oxopyrrolidin-1-yl)benzoic acid
CID 168688895
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
2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
CID 168703296
1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691617
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoic acid
CID 168697535
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168702711
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (CID 168703238) is 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1cccc(O)c1N1CC(O)CC1=O.
What is the InChIKey of 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is BYMOGGIWGPHREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-6-4-9(15)12(5-6)10-7(11(16)17)2-1-3-8(10)14/h1-3,6,13-14H,4-5H2,(H,16,17).
What are the key properties of 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 237.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168703238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).