1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)/t7-/m0/s1

2.1.3 InChI Key

BMIGSRMSSCUMAZ-ZETCQYMHSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 51154-06-4

2. Boc-3,4-dehydro-l-proline

3. Boc-3,4-dehydro-pro-oh

4. Mfcd00037896

5. (2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic Acid

6. Boc-3,4-dehydropro-oh

7. N-boc-l-3,4-dehydroproline

8. Schembl629585

9. Dtxsid00350890

10. Bmigsrmsscumaz-zetcqymhsa-n

11. 58617-29-1

12. Akos015907944

13. Cs-w000410

14. Ds-4250

15. Sy066357

16. F10911

17. (s)-1-boc-2,5-dihydropyrrole-2-carboxylic Acid

18. (2s)-1-tert-butoxycarbonyl-2,5-dihydropyrrole-2-carboxylic Acid

19. (s)-2,5-dihydro-pyrrole-1,2-dicarboxylic Acid 1-tert-butyl Ester

20. (s)-2,5-dihydropyrrole-1,2-dicarboxylic Acid 1-tert-butyl Ester

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO₄
Molecular Weight	213.23 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	66.8
Heavy Atom Count	15
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

51154-06-4