The synonyms of the compound are 959246-58-3 DTXSID00697116 3-N-BOC-AMINO-3-(3-CHLOROPHENYL)PROPIONIC ACID BENZYL ESTER BENZYL 3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-CHLOROPHENYL)PROPANOATE.
What is the molecular weight of the compound?
The molecular weight is 389.9 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is benzyl 3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the InChI of the compound?
The InChI is InChI=1S/C21H24ClNO4.
What is the InChIKey of the compound?
The InChIKey is IAXVTBRCESIBNV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C2=CC(=CC=C2)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.4.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
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