2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid

C10H13N3O2 — CID 83062688

IUPAC2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid
SMILESC=CCC(Nc1nccnc1C)C(=O)O
InChIInChI=1S/C10H13N3O2/c1-3-4-8(10(14)15)13-9-7(2)11-5-6-12-9/h3,5-6,8H,1,4H2,2H3,(H,12,13)(H,14,15)
InChIKeyZMAWGFXPDJOYNY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.23
Rot. Bonds5

About 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid

2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid (PubChem CID 83062688) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid
PubChem CID83062688
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid
SMILESC=CCC(Nc1nccnc1C)C(=O)O
InChIInChI=1S/C10H13N3O2/c1-3-4-8(10(14)15)13-9-7(2)11-5-6-12-9/h3,5-6,8H,1,4H2,2H3,(H,12,13)(H,14,15)
InChIKeyZMAWGFXPDJOYNY-UHFFFAOYSA-N
XLogP1.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid?
The IUPAC name of 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid (CID 83062688) is 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid.
What is the SMILES notation for 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid?
The canonical SMILES for 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid is C=CCC(Nc1nccnc1C)C(=O)O.
What is the InChIKey of 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid?
The InChIKey is ZMAWGFXPDJOYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-4-8(10(14)15)13-9-7(2)11-5-6-12-9/h3,5-6,8H,1,4H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid?
2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid is sourced from PubChem (CID 83062688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).