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102195-80-2 | 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
CAS No: 102195-80-2 Catalog No: AG0006VG MDL No:MFCD01861778
Product Description
Catalog Number:
AG0006VG
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
CAS Number:
102195-80-2
Molecular Formula:
C11H17NO5
Molecular Weight:
243.2564
MDL Number:
MFCD01861778
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m0/s1
InChI Key:
UPBHYYJZVWZCOZ-QMMMGPOBSA-N
SMILES:
COC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.259g/mol
Monoisotopic Mass:
243.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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