2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid

C7H7F2N3O2 — CID 130600674

IUPAC2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNc1cnccn1
InChIInChI=1S/C7H7F2N3O2/c8-7(9,6(13)14)4-12-5-3-10-1-2-11-5/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyWLZYSWKSYXDTAR-UHFFFAOYSA-N
MW203.15 g/mol
LogP0.61
Rot. Bonds4

About 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid

2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid (PubChem CID 130600674) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid
PubChem CID130600674
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNc1cnccn1
InChIInChI=1S/C7H7F2N3O2/c8-7(9,6(13)14)4-12-5-3-10-1-2-11-5/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyWLZYSWKSYXDTAR-UHFFFAOYSA-N
XLogP0.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid (CID 130600674) is 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid is O=C(O)C(F)(F)CNc1cnccn1.
What is the InChIKey of 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid?
The InChIKey is WLZYSWKSYXDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-7(9,6(13)14)4-12-5-3-10-1-2-11-5/h1-3H,4H2,(H,11,12)(H,13,14).
What are the key properties of 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid?
2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid has a molecular weight of 203.15 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pyrazin-2-ylamino)propanoic acid is sourced from PubChem (CID 130600674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).