4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid

C11H15N3O2 — CID 69142663

IUPAC4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid
SMILESCC(C)CC(/N=C/c1cnccn1)C(=O)O
InChIInChI=1S/C11H15N3O2/c1-8(2)5-10(11(15)16)14-7-9-6-12-3-4-13-9/h3-4,6-8,10H,5H2,1-2H3,(H,15,16)/b14-7+
InChIKeyOMMGQYPQMYQKNV-VGOFMYFVSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds5

About 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid

4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid (PubChem CID 69142663) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid
PubChem CID69142663
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid
SMILESCC(C)CC(/N=C/c1cnccn1)C(=O)O
InChIInChI=1S/C11H15N3O2/c1-8(2)5-10(11(15)16)14-7-9-6-12-3-4-13-9/h3-4,6-8,10H,5H2,1-2H3,(H,15,16)/b14-7+
InChIKeyOMMGQYPQMYQKNV-VGOFMYFVSA-N
XLogP1.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid (CID 69142663) is 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid is CC(C)CC(/N=C/c1cnccn1)C(=O)O.
What is the InChIKey of 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid?
The InChIKey is OMMGQYPQMYQKNV-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)5-10(11(15)16)14-7-9-6-12-3-4-13-9/h3-4,6-8,10H,5H2,1-2H3,(H,15,16)/b14-7+.
What are the key properties of 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid?
4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoic acid is sourced from PubChem (CID 69142663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).