2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid

C13H19N3O3 — CID 64669262

IUPAC2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid
SMILESCCCOc1cncc(NC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-3-6-19-11-8-14-7-10(15-11)16-13(2,12(17)18)9-4-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIFQJBIRWGZXOOF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds7

About 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid

2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid (PubChem CID 64669262) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid
PubChem CID64669262
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid
SMILESCCCOc1cncc(NC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-3-6-19-11-8-14-7-10(15-11)16-13(2,12(17)18)9-4-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIFQJBIRWGZXOOF-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid (CID 64669262) is 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid is CCCOc1cncc(NC(C)(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid?
The InChIKey is IFQJBIRWGZXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-6-19-11-8-14-7-10(15-11)16-13(2,12(17)18)9-4-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid?
2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 64669262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).