1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid

C12H12N2O6 — CID 107433324

IUPAC1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccc(O)cc2O)C(C(=O)O)CN1
InChIInChI=1S/C12H12N2O6/c15-6-1-2-7(9(16)3-6)11(18)14-5-10(17)13-4-8(14)12(19)20/h1-3,8,15-16H,4-5H2,(H,13,17)(H,19,20)
InChIKeyQJPRFFRVVRCIJG-UHFFFAOYSA-N
MW280.24 g/mol
LogP-0.88
Rot. Bonds2

About 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid

1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433324) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433324
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccc(O)cc2O)C(C(=O)O)CN1
InChIInChI=1S/C12H12N2O6/c15-6-1-2-7(9(16)3-6)11(18)14-5-10(17)13-4-8(14)12(19)20/h1-3,8,15-16H,4-5H2,(H,13,17)(H,19,20)
InChIKeyQJPRFFRVVRCIJG-UHFFFAOYSA-N
XLogP-0.88
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
1-(2,4-dibromobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107938417
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433030
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919
1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432864
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid (CID 107433324) is 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2ccc(O)cc2O)C(C(=O)O)CN1.
What is the InChIKey of 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is QJPRFFRVVRCIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c15-6-1-2-7(9(16)3-6)11(18)14-5-10(17)13-4-8(14)12(19)20/h1-3,8,15-16H,4-5H2,(H,13,17)(H,19,20).
What are the key properties of 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 280.24 g/mol, XLogP of -0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).