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

C9H11N3O5 — CID 43210994

IUPAC3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(13)7(9(16)17)12-8(15)5-2-11-6(14)3-10-5/h2-4,7,13H,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyZYPQWAYDUNIMPN-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.67
Rot. Bonds4

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

3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 43210994) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID43210994
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(13)7(9(16)17)12-8(15)5-2-11-6(14)3-10-5/h2-4,7,13H,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyZYPQWAYDUNIMPN-UHFFFAOYSA-N
XLogP-1.67
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789024
(2S,3R)-3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789139
(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
(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)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790345
3-Hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43211009
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-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211168

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 43210994) is 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is ZYPQWAYDUNIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-4(13)7(9(16)17)12-8(15)5-2-11-6(14)3-10-5/h2-4,7,13H,1H3,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43210994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).