1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid

C13H14N2O5 — CID 107432869

IUPAC1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CC(=O)NCC2C(=O)O)cc1O
InChIInChI=1S/C13H14N2O5/c1-7-2-3-8(4-10(7)16)12(18)15-6-11(17)14-5-9(15)13(19)20/h2-4,9,16H,5-6H2,1H3,(H,14,17)(H,19,20)
InChIKeyJTJMMICCLRPSCW-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.27
Rot. Bonds2

About 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid

1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432869) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432869
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CC(=O)NCC2C(=O)O)cc1O
InChIInChI=1S/C13H14N2O5/c1-7-2-3-8(4-10(7)16)12(18)15-6-11(17)14-5-9(15)13(19)20/h2-4,9,16H,5-6H2,1H3,(H,14,17)(H,19,20)
InChIKeyJTJMMICCLRPSCW-UHFFFAOYSA-N
XLogP-0.27
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432832
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432811
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918
1-(2,4-dibromobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107938417

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid (CID 107432869) is 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid is Cc1ccc(C(=O)N2CC(=O)NCC2C(=O)O)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is JTJMMICCLRPSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-7-2-3-8(4-10(7)16)12(18)15-6-11(17)14-5-9(15)13(19)20/h2-4,9,16H,5-6H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).