2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid

C10H15N3O2S — CID 63381397

IUPAC2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid
SMILESCC(N)(CCCSc1cnccn1)C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-10(11,9(14)15)3-2-6-16-8-7-12-4-5-13-8/h4-5,7H,2-3,6,11H2,1H3,(H,14,15)
InChIKeyVOVKPWXGBKVSTA-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.15
Rot. Bonds6

About 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid

2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid (PubChem CID 63381397) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid
PubChem CID63381397
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid
SMILESCC(N)(CCCSc1cnccn1)C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-10(11,9(14)15)3-2-6-16-8-7-12-4-5-13-8/h4-5,7H,2-3,6,11H2,1H3,(H,14,15)
InChIKeyVOVKPWXGBKVSTA-UHFFFAOYSA-N
XLogP1.15
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid?
The IUPAC name of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid (CID 63381397) is 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid?
The canonical SMILES for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid is CC(N)(CCCSc1cnccn1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid?
The InChIKey is VOVKPWXGBKVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-10(11,9(14)15)3-2-6-16-8-7-12-4-5-13-8/h4-5,7H,2-3,6,11H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid?
2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid has a molecular weight of 241.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid is sourced from PubChem (CID 63381397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).