3-[(3-cyanopyrazin-2-yl)amino]propanoic acid

C8H8N4O2 — CID 62672681

IUPAC3-[(3-cyanopyrazin-2-yl)amino]propanoic acid
SMILESN#Cc1nccnc1NCCC(=O)O
InChIInChI=1S/C8H8N4O2/c9-5-6-8(12-4-3-10-6)11-2-1-7(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyJSXIFYBPURTCJX-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.23
Rot. Bonds4

About 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid

3-[(3-cyanopyrazin-2-yl)amino]propanoic acid (PubChem CID 62672681) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-cyanopyrazin-2-yl)amino]propanoic acid
PubChem CID62672681
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-[(3-cyanopyrazin-2-yl)amino]propanoic acid
SMILESN#Cc1nccnc1NCCC(=O)O
InChIInChI=1S/C8H8N4O2/c9-5-6-8(12-4-3-10-6)11-2-1-7(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyJSXIFYBPURTCJX-UHFFFAOYSA-N
XLogP0.23
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid (CID 62672681) is 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid is N#Cc1nccnc1NCCC(=O)O.
What is the InChIKey of 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid?
The InChIKey is JSXIFYBPURTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-5-6-8(12-4-3-10-6)11-2-1-7(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid?
3-[(3-cyanopyrazin-2-yl)amino]propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanopyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 62672681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).