2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid

C13H15N3O5 — CID 115596375

IUPAC2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCNC(=O)C2CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H15N3O5/c1-7-2-3-8(11(19)15-7)13(21)16-5-4-14-12(20)9(16)6-10(17)18/h2-3,9H,4-6H2,1H3,(H,14,20)(H,15,19)(H,17,18)
InChIKeyIJABBPUMYXNYML-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.90
Rot. Bonds3

About 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 115596375) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID115596375
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCNC(=O)C2CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H15N3O5/c1-7-2-3-8(11(19)15-7)13(21)16-5-4-14-12(20)9(16)6-10(17)18/h2-3,9H,4-6H2,1H3,(H,14,20)(H,15,19)(H,17,18)
InChIKeyIJABBPUMYXNYML-UHFFFAOYSA-N
XLogP-0.90
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[1-(2,5-dibromothiophene-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790399
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
2-[1-(5-bromothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032405
2-[(2S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 95358156
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 115731600

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 115596375) is 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid is Cc1ccc(C(=O)N2CCNC(=O)C2CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is IJABBPUMYXNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-7-2-3-8(11(19)15-7)13(21)16-5-4-14-12(20)9(16)6-10(17)18/h2-3,9H,4-6H2,1H3,(H,14,20)(H,15,19)(H,17,18).
What are the key properties of 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 293.28 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 115596375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).