3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

C11H15N3O4 — CID 43211126

IUPAC3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-6(2)9(11(17)18)14-10(16)7-4-13-8(15)5-12-7/h4-6,9H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyYXPZPOVSGVHYPJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.00
Rot. Bonds5

About 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43211126) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID43211126
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-6(2)9(11(17)18)14-10(16)7-4-13-8(15)5-12-7/h4-6,9H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyYXPZPOVSGVHYPJ-UHFFFAOYSA-N
XLogP-0.00
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 43211126) is 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is YXPZPOVSGVHYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-6(2)9(11(17)18)14-10(16)7-4-13-8(15)5-12-7/h4-6,9H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43211126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).