2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid

C11H14ClN3O3 — CID 114035170

IUPAC2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cncc(Cl)n1)C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-3-4-11(2,10(17)18)15-9(16)7-5-13-6-8(12)14-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGJOGVDCJKILKSI-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.50
Rot. Bonds5

About 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid

2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 114035170) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
PubChem CID114035170
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cncc(Cl)n1)C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-3-4-11(2,10(17)18)15-9(16)7-5-13-6-8(12)14-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGJOGVDCJKILKSI-UHFFFAOYSA-N
XLogP1.50
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid (CID 114035170) is 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cncc(Cl)n1)C(=O)O.
What is the InChIKey of 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is GJOGVDCJKILKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-4-11(2,10(17)18)15-9(16)7-5-13-6-8(12)14-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid?
2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 114035170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).