2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid

C12H16N4O4 — CID 62317944

IUPAC2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C12H16N4O4/c1-8(12(19)20)15-2-4-16(5-3-15)11(18)9-6-14-10(17)7-13-9/h6-8H,2-5H2,1H3,(H,14,17)(H,19,20)
InChIKeyMRIPLKIDTJMHOW-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.00
Rot. Bonds3

About 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317944) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317944
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C12H16N4O4/c1-8(12(19)20)15-2-4-16(5-3-15)11(18)9-6-14-10(17)7-13-9/h6-8H,2-5H2,1H3,(H,14,17)(H,19,20)
InChIKeyMRIPLKIDTJMHOW-UHFFFAOYSA-N
XLogP-1.00
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 62317944) is 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is MRIPLKIDTJMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-8(12(19)20)15-2-4-16(5-3-15)11(18)9-6-14-10(17)7-13-9/h6-8H,2-5H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 280.28 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).