1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C11H19NO7S/c1-11(2,3)18-10(15)12-6-7(19-20(4,16)17)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1

2.1.3 InChI Key

OGGZSVXCHFNXKA-SFYZADRCSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 202477-59-6

2. (2s,4r)-1-boc-4-methanesulfonyloxy-proline

3. (2s,4r)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic Acid

4. Schembl3382551

5. Dtxsid40464182

6. (2s,4r)-1-[(tert-butoxy)carbonyl]-4-(methanesulfonyloxy)pyrrolidine-2-carboxylic Acid

7. Mfcd09991611

8. (2s,4r)-1-(tert-butoxycarbonyl)-4-((methylsulfonyl)oxy)pyrrolidine-2-carboxylicacid

9. (2s,4r)-4-methanesulfonyloxy-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

10. (4r)-1-(tert-butoxycarbonyl)-4-[(methanesulfonyl)oxy]-l-proline

11. (2s,4r)-4-[(methylsulfonyl)oxy]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-dimethylethyl) Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉NO₇S
Molecular Weight	309.34 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	119
Heavy Atom Count	20
Formal Charge	0
Complexity	488
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

202477-59-6