tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate

C23H25N3O3 — CID 86791936

IUPACtert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)29-22(27)21(18-7-5-4-6-8-18)26-15-17-9-11-19(12-10-17)28-20-16-24-13-14-25-20/h4-14,16,21,26H,15H2,1-3H3/t21-/m1/s1
InChIKeyAMCPGCAVSSVHGC-OAQYLSRUSA-N
MW391.47 g/mol
LogP4.44
Rot. Bonds7

About tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate

tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate (PubChem CID 86791936) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate
PubChem CID86791936
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Nametert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)29-22(27)21(18-7-5-4-6-8-18)26-15-17-9-11-19(12-10-17)28-20-16-24-13-14-25-20/h4-14,16,21,26H,15H2,1-3H3/t21-/m1/s1
InChIKeyAMCPGCAVSSVHGC-OAQYLSRUSA-N
XLogP4.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate?
The IUPAC name of tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate (CID 86791936) is tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate is CC(C)(C)OC(=O)[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate?
The InChIKey is AMCPGCAVSSVHGC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2,3)29-22(27)21(18-7-5-4-6-8-18)26-15-17-9-11-19(12-10-17)28-20-16-24-13-14-25-20/h4-14,16,21,26H,15H2,1-3H3/t21-/m1/s1.
What are the key properties of tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate?
tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate has a molecular weight of 391.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate is sourced from PubChem (CID 86791936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).