2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid

C10H13N3O2S — CID 63920864

IUPAC2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid
SMILESNC(CSc1cnccn1)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O2S/c11-10(9(14)15,7-1-2-7)6-16-8-5-12-3-4-13-8/h3-5,7H,1-2,6,11H2,(H,14,15)
InChIKeyWVOCBNSEEXSUOV-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.76
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid

2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid (PubChem CID 63920864) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid
PubChem CID63920864
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid
SMILESNC(CSc1cnccn1)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O2S/c11-10(9(14)15,7-1-2-7)6-16-8-5-12-3-4-13-8/h3-5,7H,1-2,6,11H2,(H,14,15)
InChIKeyWVOCBNSEEXSUOV-UHFFFAOYSA-N
XLogP0.76
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-2-methyl-6-pyrazin-2-ylsulfanylhexanoic acid
CID 55247748
2-(Cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid
CID 55249872
Pentanoic acid, 5-(2-pyrazinylthio)-
CID 63380828
Ethyl 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
CID 63381201
Methyl 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanoate
CID 63381203
Methyl 2-(ethylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
CID 63381251
Methyl 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanoate
CID 63381297
Methyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
CID 63381392
2-Amino-2-methyl-5-pyrazin-2-ylsulfanylpentanoic acid
CID 63381397
2-Methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanoic acid
CID 63381444
2-(Ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanoic acid
CID 63381488
2-Methyl-2-(propylamino)-6-pyrazin-2-ylsulfanylhexanoic acid
CID 63381489

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid (CID 63920864) is 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid is NC(CSc1cnccn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid?
The InChIKey is WVOCBNSEEXSUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-10(9(14)15,7-1-2-7)6-16-8-5-12-3-4-13-8/h3-5,7H,1-2,6,11H2,(H,14,15).
What are the key properties of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid?
2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid has a molecular weight of 239.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 63920864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).