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

C8H7BrN4O2 — CID 84712825

IUPAC2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2cnc(Br)cn12
InChIInChI=1S/C8H7BrN4O2/c9-5-3-13-4(7(10)8(14)15)1-12-6(13)2-11-5/h1-3,7H,10H2,(H,14,15)
InChIKeyAXANCVOTXOOZTP-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.58
Rot. Bonds2

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

2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid (PubChem CID 84712825) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
PubChem CID84712825
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2cnc(Br)cn12
InChIInChI=1S/C8H7BrN4O2/c9-5-3-13-4(7(10)8(14)15)1-12-6(13)2-11-5/h1-3,7H,10H2,(H,14,15)
InChIKeyAXANCVOTXOOZTP-UHFFFAOYSA-N
XLogP0.58
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.58
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-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid (CID 84712825) is 2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid is NC(C(=O)O)c1cnc2cnc(Br)cn12.
What is the InChIKey of 2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The InChIKey is AXANCVOTXOOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/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-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
2-amino-2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid has a molecular weight of 271.07 g/mol, XLogP of 0.58, 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-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid is sourced from PubChem (CID 84712825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).