1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C11H11N3O5 — CID 107433430

IUPAC1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cncc(O)c2)C(C(=O)O)CN1
InChIInChI=1S/C11H11N3O5/c15-7-1-6(2-12-3-7)10(17)14-5-9(16)13-4-8(14)11(18)19/h1-3,8,15H,4-5H2,(H,13,16)(H,18,19)
InChIKeyISQVQWBSHFNOSN-UHFFFAOYSA-N
MW265.22 g/mol
LogP-1.19
Rot. Bonds2

About 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433430) has the molecular formula C11H11N3O5 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433430
Molecular FormulaC11H11N3O5
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cncc(O)c2)C(C(=O)O)CN1
InChIInChI=1S/C11H11N3O5/c15-7-1-6(2-12-3-7)10(17)14-5-9(16)13-4-8(14)11(18)19/h1-3,8,15H,4-5H2,(H,13,16)(H,18,19)
InChIKeyISQVQWBSHFNOSN-UHFFFAOYSA-N
XLogP-1.19
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432811
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
1-(5-nitrothiophene-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432774
1-(4-nitro-1H-pyrrole-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432849

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107433430) is 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2cncc(O)c2)C(C(=O)O)CN1.
What is the InChIKey of 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is ISQVQWBSHFNOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c15-7-1-6(2-12-3-7)10(17)14-5-9(16)13-4-8(14)11(18)19/h1-3,8,15H,4-5H2,(H,13,16)(H,18,19).
What are the key properties of 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).