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158392-80-4 | 1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS No: 158392-80-4 Catalog No: AG001Q58 MDL No:MFCD17926379
Product Description
Catalog Number:
AG001Q58
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS Number:
158392-80-4
Molecular Formula:
C14H23NO5
Molecular Weight:
285.3361
MDL Number:
MFCD17926379
IUPAC Name:
1-O-tert-butyl 2-O-ethyl (2S)-4,4-dimethyl-5-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C14H23NO5/c1-7-19-10(16)9-8-14(5,6)11(17)15(9)12(18)20-13(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChI Key:
WGULJENYZHSGAY-VIFPVBQESA-N
SMILES:
CCOC(=O)[C@@H]1CC(C(=O)N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.34g/mol
Monoisotopic Mass:
285.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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