4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

C11H15N3O4 — CID 62043932

IUPAC4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-11(2,4-3-9(16)17)14-10(18)7-5-13-8(15)6-12-7/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyAKQLMEFBANIDMO-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds5

About 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 62043932) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID62043932
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-11(2,4-3-9(16)17)14-10(18)7-5-13-8(15)6-12-7/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyAKQLMEFBANIDMO-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 62043932) is 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is AKQLMEFBANIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,4-3-9(16)17)14-10(18)7-5-13-8(15)6-12-7/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62043932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).