1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-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/h4,6-7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1

2.1.3 InChI Key

BGAMGLYMXSMZPL-ZETCQYMHSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 90104-21-5

2. Dtxsid50732965

3. Dtxcid30683709

4. (s)-1-(tert-butoxycarbonyl)-2,3-dihydro-1h-pyrrole-2-carboxylic Acid

5. (s)-1-boc-2,3-dihydro-1h-pyrrole-2-carboxylic Acid

6. (2s)-1-[(tert-butoxy)carbonyl]-2,3-dihydro-1h-pyrrole-2-carboxylic Acid

7. Schembl2249916

8. (s)-1-(tert-butoxycarbonyl)-2,3-dihydro-1h-pyrrole-2-carboxylicacid

9. Mfcd13151928

10. Sy324676

11. Db-362391

12. Cs-0183450

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO₄
Molecular Weight	213.23 g/mol
XLogP3	1.2
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

CAS 90104-21-5