CAS
885691-99-6 Purity
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885691-99-6 Purity
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Specification
The molecular formula is C14H20N2O3.
The molecular weight is 264.32 g/mol.
The IUPAC name is 1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.
The InChIKey is DMSZWLDMGGTLDP-UHFFFAOYSA-N.
The canonical SMILES representation is COC1=CC=CC=C1C(CN)N2CCC(C2)C(=O)O.
The XLogP3-AA value is -1.8.
The compound has 2 hydrogen bond donor counts.
The topological polar surface area is 75.8 Å2.
The compound has 0 defined atom stereocenter counts.
Yes, the compound is canonicalized.