2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid

C10H15N3O2S — CID 63381204

IUPAC2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid
SMILESCC(C)NC(CSc1cnccn1)C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-7(2)13-8(10(14)15)6-16-9-5-11-3-4-12-9/h3-5,7-8,13H,6H2,1-2H3,(H,14,15)
InChIKeyYEGNLJKUBQSYDR-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.02
Rot. Bonds6

About 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid

2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid (PubChem CID 63381204) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid
PubChem CID63381204
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid
SMILESCC(C)NC(CSc1cnccn1)C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-7(2)13-8(10(14)15)6-16-9-5-11-3-4-12-9/h3-5,7-8,13H,6H2,1-2H3,(H,14,15)
InChIKeyYEGNLJKUBQSYDR-UHFFFAOYSA-N
XLogP1.02
TPSA75.11 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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid (CID 63381204) is 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid is CC(C)NC(CSc1cnccn1)C(=O)O.
What is the InChIKey of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid?
The InChIKey is YEGNLJKUBQSYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(2)13-8(10(14)15)6-16-9-5-11-3-4-12-9/h3-5,7-8,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid?
2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid has a molecular weight of 241.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 63381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).