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113400-36-5 | 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-
CAS No: 113400-36-5 Catalog No: AG0008FP MDL No:MFCD04115781
Product Description
Catalog Number:
AG0008FP
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-
CAS Number:
113400-36-5
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
MDL Number:
MFCD04115781
IUPAC Name:
2-O-benzyl 1-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C17H21NO5/c1-17(2,3)23-16(21)18-13(9-10-14(18)19)15(20)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChI Key:
TZNBTMCEMLXYEM-ZDUSSCGKSA-N
SMILES:
O=C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)OCc1ccccc1
EC Number:
601-251-4
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:
2.4
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