2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid

C15H13N3O3 — CID 148952571

IUPAC2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)c1cnccn1
InChIInChI=1S/C15H13N3O3/c19-13(12-9-16-6-7-17-12)18-15(14(20)21)8-11(15)10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,18,19)(H,20,21)
InChIKeyPQFRSUROGPSJBK-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.22
Rot. Bonds4

About 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid

2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid (PubChem CID 148952571) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid
PubChem CID148952571
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)c1cnccn1
InChIInChI=1S/C15H13N3O3/c19-13(12-9-16-6-7-17-12)18-15(14(20)21)8-11(15)10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,18,19)(H,20,21)
InChIKeyPQFRSUROGPSJBK-UHFFFAOYSA-N
XLogP1.22
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid (CID 148952571) is 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1c1ccccc1)c1cnccn1.
What is the InChIKey of 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is PQFRSUROGPSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-13(12-9-16-6-7-17-12)18-15(14(20)21)8-11(15)10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid?
2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 148952571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).