3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid

C10H10N4O2 — CID 84683508

IUPAC3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid
SMILESNCC(C(=O)O)c1ccc2nccnc2n1
InChIInChI=1S/C10H10N4O2/c11-5-6(10(15)16)7-1-2-8-9(14-7)13-4-3-12-8/h1-4,6H,5,11H2,(H,15,16)
InChIKeyHORLIMYUZYCLIC-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.15
Rot. Bonds3

About 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid

3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid (PubChem CID 84683508) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid
PubChem CID84683508
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid
SMILESNCC(C(=O)O)c1ccc2nccnc2n1
InChIInChI=1S/C10H10N4O2/c11-5-6(10(15)16)7-1-2-8-9(14-7)13-4-3-12-8/h1-4,6H,5,11H2,(H,15,16)
InChIKeyHORLIMYUZYCLIC-UHFFFAOYSA-N
XLogP0.15
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid?
The IUPAC name of 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid (CID 84683508) is 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid.
What is the SMILES notation for 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid?
The canonical SMILES for 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid is NCC(C(=O)O)c1ccc2nccnc2n1.
What is the InChIKey of 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid?
The InChIKey is HORLIMYUZYCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-5-6(10(15)16)7-1-2-8-9(14-7)13-4-3-12-8/h1-4,6H,5,11H2,(H,15,16).
What are the key properties of 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid?
3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid is sourced from PubChem (CID 84683508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).