(2S,4S)-1-Boc-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(1-piperazinyl)pyrrolidine - CAS 869489-00-9
Catalog: |
BB038135 |
Product Name: |
(2S,4S)-1-Boc-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(1-piperazinyl)pyrrolidine |
CAS: |
869489-00-9 |
Synonyms: |
(2S,4S)-2-[(3,3-difluoro-1-pyrrolidinyl)-oxomethyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-piperazin-1-ylpyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-piperazin-1-ylpyrrolidine-1-carboxylate |
Description: | (2S,4S)-1-Boc-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(1-piperazinyl)pyrrolidine (CAS# 869489-00-9 ) is a useful research chemical. |
Molecular Weight: | 388.45 |
Molecular Formula: | C18H30F2N4O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCC(C2)(F)F)N3CCNCC3 |
InChI: | InChI=1S/C18H30F2N4O3/c1-17(2,3)27-16(26)24-11-13(22-8-5-21-6-9-22)10-14(24)15(25)23-7-4-18(19,20)12-23/h13-14,21H,4-12H2,1-3H3/t13-,14-/m0/s1 |
InChI Key: | NEYBZYHUJLJPLN-KBPBESRZSA-N |
LogP: | 1.27970 |
Publication Number | Title | Priority Date |
AU-2005247684-B2 | Proline derivatives and their use as dipeptidyl peptidase IV inhibitors | 20040512 |
EP-1753748-B1 | Proline derivatives and their use as dipeptidyl peptidase iv inhibitors | 20040512 |
EP-2116541-A1 | Proline derivatives and their use as dipeptidyl peptidase IV inhibitors | 20040512 |
EP-2116541-B1 | Proline derivatives and their use as dipeptidyl peptidase IV inhibitors | 20040512 |
ES-2327857-T3 | DERIVATIVES OF PROLINA AND ITS USE AS INHIBITORS OF DIPEPTIDIL PEPTIDASA IV. | 20040512 |
Complexity: | 575 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 388.22859716 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 388.22859716 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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