3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid

C17H19N3O3 — CID 110269700

IUPAC3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cncc(C2CN(c3ccccc3)CCO2)n1
InChIInChI=1S/C17H19N3O3/c21-17(22)7-6-13-10-18-11-15(19-13)16-12-20(8-9-23-16)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12H2,(H,21,22)
InChIKeyNOBYBWZATWOELR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.07
Rot. Bonds5

About 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid

3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid (PubChem CID 110269700) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid
PubChem CID110269700
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cncc(C2CN(c3ccccc3)CCO2)n1
InChIInChI=1S/C17H19N3O3/c21-17(22)7-6-13-10-18-11-15(19-13)16-12-20(8-9-23-16)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12H2,(H,21,22)
InChIKeyNOBYBWZATWOELR-UHFFFAOYSA-N
XLogP2.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid (CID 110269700) is 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid is O=C(O)CCc1cncc(C2CN(c3ccccc3)CCO2)n1.
What is the InChIKey of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
The InChIKey is NOBYBWZATWOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(22)7-6-13-10-18-11-15(19-13)16-12-20(8-9-23-16)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12H2,(H,21,22).
What are the key properties of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 110269700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).