4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid

C13H19N5O3 — CID 64890679

IUPAC4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O3/c14-10(1-2-12(19)20)13(21)18-7-5-17(6-8-18)11-9-15-3-4-16-11/h3-4,9-10H,1-2,5-8,14H2,(H,19,20)
InChIKeyIJUBQKLPCSYJBC-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.68
Rot. Bonds5

About 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid

4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid (PubChem CID 64890679) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
PubChem CID64890679
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O3/c14-10(1-2-12(19)20)13(21)18-7-5-17(6-8-18)11-9-15-3-4-16-11/h3-4,9-10H,1-2,5-8,14H2,(H,19,20)
InChIKeyIJUBQKLPCSYJBC-UHFFFAOYSA-N
XLogP-0.68
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
(2S)-2-amino-4-methylsulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 61164176
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347
2-(aminomethyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227346
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 106112141
2-hydroxy-4-methylsulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 86284578
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
2-pentyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 86053413

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid (CID 64890679) is 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid is NC(CCC(=O)O)C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is IJUBQKLPCSYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-10(1-2-12(19)20)13(21)18-7-5-17(6-8-18)11-9-15-3-4-16-11/h3-4,9-10H,1-2,5-8,14H2,(H,19,20).
What are the key properties of 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid?
4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 293.33 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 64890679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).