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188200-05-7 | 1,2-Pyrrolidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-diMethylethyl) 2-Methyl ester, (2S)-
CAS No: 188200-05-7 Catalog No: AG002GR8 MDL No:
Product Description
Catalog Number:
AG002GR8
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-diMethylethyl) 2-Methyl ester, (2S)-
CAS Number:
188200-05-7
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7-8,13H,5-6H2,1-4H3/t7-,8?/m0/s1
InChI Key:
AQZKCSDXFUBKRP-JAMMHHFISA-N
SMILES:
COC(=O)[C@@H]1CCC(N1C(=O)OC(C)(C)C)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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