6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid

C11H15N3O4 — CID 28788663

IUPAC6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c15-9-7-13-8(6-14-9)11(18)12-5-3-1-2-4-10(16)17/h6-7H,1-5H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyIACFZVQXYNUINP-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds7

About 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid

6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid (PubChem CID 28788663) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
PubChem CID28788663
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c15-9-7-13-8(6-14-9)11(18)12-5-3-1-2-4-10(16)17/h6-7H,1-5H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyIACFZVQXYNUINP-UHFFFAOYSA-N
XLogP0.14
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886
7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
CID 28791145
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43151790
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 43211109
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 43469877
2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43619103
methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate
CID 43623251
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43631077
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899608

Frequently Asked Questions

What is the IUPAC name of 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid (CID 28788663) is 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is IACFZVQXYNUINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9-7-13-8(6-14-9)11(18)12-5-3-1-2-4-10(16)17/h6-7H,1-5H2,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 28788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).