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1001353-86-1 | 1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS No: 1001353-86-1 Catalog No: AG00011W MDL No:MFCD11501346
Product Description
Catalog Number:
AG00011W
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS Number:
1001353-86-1
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD11501346
IUPAC Name:
1-O-tert-butyl 2-O-ethyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C14H25NO4/c1-7-18-11(16)10-8-14(5,6)9-15(10)12(17)19-13(2,3)4/h10H,7-9H2,1-6H3/t10-/m0/s1
InChI Key:
ZWNSAGPRRVZFDV-JTQLQIEISA-N
SMILES:
CCOC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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