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

C9H11N3O4 — CID 43361018

IUPAC3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-5(2-8(14)15)12-9(16)6-3-11-7(13)4-10-6/h3-5H,2H2,1H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyNMNRJUXVUJDHGZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.64
Rot. Bonds4

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

3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 43361018) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID43361018
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-5(2-8(14)15)12-9(16)6-3-11-7(13)4-10-6/h3-5H,2H2,1H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyNMNRJUXVUJDHGZ-UHFFFAOYSA-N
XLogP-0.64
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 3-[(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

(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
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
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
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43467797
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552
3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522085

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 43361018) is 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is NMNRJUXVUJDHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(2-8(14)15)12-9(16)6-3-11-7(13)4-10-6/h3-5H,2H2,1H3,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43361018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).