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1018667-18-9 | 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4R)-rel-
CAS No: 1018667-18-9 Catalog No: AG0005S7 MDL No:
Product Description
Catalog Number:
AG0005S7
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4R)-rel-
CAS Number:
1018667-18-9
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t7-,8-/m1/s1
InChI Key:
IOLQYMRFIIVPMQ-HTQZYQBOSA-N
SMILES:
COC(=O)[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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