2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid

C11H17N3O3 — CID 62938916

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
SMILESCCn1ccnc(NC(C(=O)O)C(C)C)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-6-5-12-9(10(14)15)13-8(7(2)3)11(16)17/h5-8H,4H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyWPQPHPYSPKQWCK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.78
Rot. Bonds5

About 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid (PubChem CID 62938916) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
PubChem CID62938916
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
SMILESCCn1ccnc(NC(C(=O)O)C(C)C)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-6-5-12-9(10(14)15)13-8(7(2)3)11(16)17/h5-8H,4H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyWPQPHPYSPKQWCK-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid (CID 62938916) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid is CCn1ccnc(NC(C(=O)O)C(C)C)c1=O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is WPQPHPYSPKQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14-6-5-12-9(10(14)15)13-8(7(2)3)11(16)17/h5-8H,4H2,1-3H3,(H,12,13)(H,16,17).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 62938916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).