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

C10H13N3O4 — CID 43151790

IUPAC4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-13(4-2-3-9(15)16)10(17)7-5-12-8(14)6-11-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMJKYBEDLTGKWBN-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.29
Rot. Bonds5

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

4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 43151790) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID43151790
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-13(4-2-3-9(15)16)10(17)7-5-12-8(14)6-11-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMJKYBEDLTGKWBN-UHFFFAOYSA-N
XLogP-0.29
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 28788663
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid
CID 28789349
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
(2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28790272
(2S)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28790274
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 43151790) is 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is MJKYBEDLTGKWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13(4-2-3-9(15)16)10(17)7-5-12-8(14)6-11-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43151790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).