2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid

C9H11N3O4 — CID 43469552

IUPAC2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-2-5(9(15)16)12-8(14)6-3-11-7(13)4-10-6/h3-5H,2H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyJAHPNWKFGISQSJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.64
Rot. Bonds4

About 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid

2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 43469552) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID43469552
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-2-5(9(15)16)12-8(14)6-3-11-7(13)4-10-6/h3-5H,2H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyJAHPNWKFGISQSJ-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

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 79795987
2-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]butanoic acid
CID 140557756
(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2R)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788935
(2S)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788937
(2S,3R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789024
(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
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 43469552) is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is CCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is JAHPNWKFGISQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-5(9(15)16)12-8(14)6-3-11-7(13)4-10-6/h3-5H,2H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
2-[(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 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).