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

C12H16N4O4 — CID 43522085

IUPAC3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C12H16N4O4/c17-10-8-13-9(7-14-10)12(20)16-5-3-15(4-6-16)2-1-11(18)19/h7-8H,1-6H2,(H,14,17)(H,18,19)
InChIKeyNJOOEQDXIQCFQT-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.00
Rot. Bonds4

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

3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522085) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522085
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C12H16N4O4/c17-10-8-13-9(7-14-10)12(20)16-5-3-15(4-6-16)2-1-11(18)19/h7-8H,1-6H2,(H,14,17)(H,18,19)
InChIKeyNJOOEQDXIQCFQT-UHFFFAOYSA-N
XLogP-1.00
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43361018
2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521411
methyl 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 54898781
3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926326
methyl 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 54997572
2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 55007879
3-[tert-butyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 60825752
3-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 60844015
3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 60988617
3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 61007665
2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317944

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 43522085) is 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is NJOOEQDXIQCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-10-8-13-9(7-14-10)12(20)16-5-3-15(4-6-16)2-1-11(18)19/h7-8H,1-6H2,(H,14,17)(H,18,19).
What are the key properties of 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid?
3-[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, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).