5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid

C10H11Br2N3O3 — CID 114074005

IUPAC5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C10H11Br2N3O3/c1-5(3-8(17)18)2-7(16)15-10-9(12)14-6(11)4-13-10/h4-5H,2-3H2,1H3,(H,17,18)(H,13,15,16)
InChIKeyOYJRKZLDEDMSCI-UHFFFAOYSA-N
MW381.02 g/mol
LogP2.44
Rot. Bonds5

About 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid

5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 114074005) has the molecular formula C10H11Br2N3O3 and a molecular weight of 381.02 g/mol. Its IUPAC name is 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID114074005
Molecular FormulaC10H11Br2N3O3
Molecular Weight381.02 g/mol
Exact Mass378.92
IUPAC Name5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C10H11Br2N3O3/c1-5(3-8(17)18)2-7(16)15-10-9(12)14-6(11)4-13-10/h4-5H,2-3H2,1H3,(H,17,18)(H,13,15,16)
InChIKeyOYJRKZLDEDMSCI-UHFFFAOYSA-N
XLogP2.44
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid (CID 114074005) is 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)Nc1ncc(Br)nc1Br.
What is the InChIKey of 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is OYJRKZLDEDMSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O3/c1-5(3-8(17)18)2-7(16)15-10-9(12)14-6(11)4-13-10/h4-5H,2-3H2,1H3,(H,17,18)(H,13,15,16).
What are the key properties of 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 381.02 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 114074005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).