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The molecular formula of the compound is C14H17NO5.
The molecular weight of the compound is 279.29 g/mol.
The IUPAC name of the compound is 5-(1,3-benzodioxol-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid.
The InChI of the compound is InChI=1S/C14H17NO5/c1-14(2,7-13(17)18)6-12(16)15-9-3-4-10-11(5-9)20-8-19-10/h3-5H,6-8H2,1-2H3,(H,15,16)(H,17,18).
The InChIKey of the compound is RYEXWDNLTAIVKC-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C)(CC(=O)NC1=CC2=C(C=C1)OCO2)CC(=O)O.
The XLogP3-AA value of the compound is 1.5.
The compound has 2 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
The compound has 5 rotatable bond counts.
(1R,2R)-N-Boc-1-amino-2-indanol
(1R,2S)-N-Boc-1-amino-2-indanol
(1S,2R)-N-Boc-1-amino-2-indanol
(2-Benzo[1,3]dioxol-5-yl-2-oxo-ethyl)-carbamic acid tert-butyl ester
1,3-Dihydro-isoindole-1,2-dicarboxylic acid 2-tert-butyl ester
(1R,2R)-(-)-2-Benzyloxycyclohexyl isocyanate
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