2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid

C8H7ClN4O2 — CID 84690684

IUPAC2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2cnc(Cl)cn12
InChIInChI=1S/C8H7ClN4O2/c9-5-3-13-4(7(10)8(14)15)1-12-6(13)2-11-5/h1-3,7H,10H2,(H,14,15)
InChIKeyPYPDGTWSCSTTFK-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid

2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid (PubChem CID 84690684) has the molecular formula C8H7ClN4O2 and a molecular weight of 226.62 g/mol. Its IUPAC name is 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid
PubChem CID84690684
Molecular FormulaC8H7ClN4O2
Molecular Weight226.62 g/mol
Exact Mass226.03
IUPAC Name2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2cnc(Cl)cn12
InChIInChI=1S/C8H7ClN4O2/c9-5-3-13-4(7(10)8(14)15)1-12-6(13)2-11-5/h1-3,7H,10H2,(H,14,15)
InChIKeyPYPDGTWSCSTTFK-UHFFFAOYSA-N
XLogP0.47
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid (CID 84690684) is 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid is NC(C(=O)O)c1cnc2cnc(Cl)cn12.
What is the InChIKey of 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The InChIKey is PYPDGTWSCSTTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2/c9-5-3-13-4(7(10)8(14)15)1-12-6(13)2-11-5/h1-3,7H,10H2,(H,14,15).
What are the key properties of 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid?
2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid has a molecular weight of 226.62 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid is sourced from PubChem (CID 84690684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).