What is the molecular formula of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The molecular formula is C15H21NO5.
What is the molecular weight of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The molecular weight is 295.33 g/mol.
What is the IUPAC name of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The IUPAC name is 3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the InChI of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18).
What is the InChIKey of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The InChIKey is OPAAZWPTEYZZIW-UHFFFAOYSA-N.
What is the canonical SMILES of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The canonical SMILES is CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)OC.
What is the CAS number of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The CAS number is 96363-20-1.
What is the ChEMBL ID of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The ChEMBL ID is CHEMBL1730545.
What is the XLogP3-AA value of 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid?
The XLogP3-AA value is 1.9.
Is 3-N-Boc-amino-3-(4-methoxyphenyl)propionic acid a canonicalized compound?
Yes, it is a canonicalized compound.