2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid

C12H11NO6 — CID 168703296

IUPAC2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(N2CC(O)CC2=O)c1
InChIInChI=1S/C12H11NO6/c14-7-4-10(15)13(5-7)9-3-6(11(16)17)1-2-8(9)12(18)19/h1-3,7,14H,4-5H2,(H,16,17)(H,18,19)
InChIKeyMQSIZZGQJJPPIA-UHFFFAOYSA-N
MW265.22 g/mol
LogP0.18
Rot. Bonds3

About 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid

2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid (PubChem CID 168703296) has the molecular formula C12H11NO6 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
PubChem CID168703296
Molecular FormulaC12H11NO6
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(N2CC(O)CC2=O)c1
InChIInChI=1S/C12H11NO6/c14-7-4-10(15)13(5-7)9-3-6(11(16)17)1-2-8(9)12(18)19/h1-3,7,14H,4-5H2,(H,16,17)(H,18,19)
InChIKeyMQSIZZGQJJPPIA-UHFFFAOYSA-N
XLogP0.18
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703309
2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
CID 168718651
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
3-amino-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702448
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703274
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168702711
4-amino-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168509002
4-amino-3-(4-ethynyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168502360
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid?
The IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid (CID 168703296) is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid.
What is the SMILES notation for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid?
The canonical SMILES for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid is O=C(O)c1ccc(C(=O)O)c(N2CC(O)CC2=O)c1.
What is the InChIKey of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid?
The InChIKey is MQSIZZGQJJPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO6/c14-7-4-10(15)13(5-7)9-3-6(11(16)17)1-2-8(9)12(18)19/h1-3,7,14H,4-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid?
2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid has a molecular weight of 265.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid is sourced from PubChem (CID 168703296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).