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

C9H11N3O4 — CID 28789499

IUPAC4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c13-7-5-11-6(4-12-7)9(16)10-3-1-2-8(14)15/h4-5H,1-3H2,(H,10,16)(H,12,13)(H,14,15)
InChIKeySNNNQKTXTBMRMI-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.64
Rot. Bonds5

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

4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 28789499) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID28789499
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c13-7-5-11-6(4-12-7)9(16)10-3-1-2-8(14)15/h4-5H,1-3H2,(H,10,16)(H,12,13)(H,14,15)
InChIKeySNNNQKTXTBMRMI-UHFFFAOYSA-N
XLogP-0.64
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.64
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

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
(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
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43151790
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211154
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43361018
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 28789499) is 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is SNNNQKTXTBMRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7-5-11-6(4-12-7)9(16)10-3-1-2-8(14)15/h4-5H,1-3H2,(H,10,16)(H,12,13)(H,14,15).
What are the key properties of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28789499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).