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147489-27-8 | 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S)-
CAS No: 147489-27-8 Catalog No: AG001EX1 MDL No:
Product Description
Catalog Number:
AG001EX1
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S)-
CAS Number:
147489-27-8
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
IUPAC Name:
1-O-benzyl 2-O-tert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C17H21NO5/c1-17(2,3)23-15(20)14-9-13(19)10-18(14)16(21)22-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3/t14-/m0/s1
InChI Key:
UOZXRTSYHFCTJZ-AWEZNQCLSA-N
SMILES:
O=C1CN([C@@H](C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
319.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.357g/mol
Monoisotopic Mass:
319.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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