93721-24-5 Purity
96%
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Specification
The molecular formula of N-Boc-cis-3,4-methylene D-proline is C11H17NO4.
The molecular weight of N-Boc-cis-3,4-methylene D-proline is 227.26 g/mol.
The IUPAC name of N-Boc-cis-3,4-methylene D-proline is (1S,2R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.
The InChI of N-Boc-cis-3,4-methylene D-proline is InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(6)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m0/s1.
The InChIKey of N-Boc-cis-3,4-methylene D-proline is RTWMQNSZCUYSJJ-BIIVOSGPSA-N.
The Canonical SMILES of N-Boc-cis-3,4-methylene D-proline is CC(C)(C)OC(=O)N1CC2CC2C1C(=O)O.
N-Boc-cis-3,4-methylene D-proline has 1 hydrogen bond donor count.
N-Boc-cis-3,4-methylene D-proline has 4 hydrogen bond acceptor counts.
N-Boc-cis-3,4-methylene D-proline has 3 rotatable bond counts.
Yes, N-Boc-cis-3,4-methylene D-proline is a canonicalized compound.