1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

phenacyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

2.1.2 InChI

InChI=1S/C19H19NO5/c1-14(20-19(23)25-12-15-8-4-2-5-9-15)18(22)24-13-17(21)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1

2.1.3 InChI Key

MUNLGCDPQMBTPW-AWEZNQCLSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 6530-41-2

2. L-alanine, N-[(phenylmethoxy)carbonyl]-, 2-oxo-2-phenylethyl Ester

3. Mfcd11455019

4. Cs-m3146

5. 2-oxo-2-phenylethyl Cbz-l-alaninate

6. Akos037650505

7. Cs-14904

8. Da-49454

9. Hy-79775

10. Pd196127

11. C12863

12. Phenacyl (2s)-2-(benzyloxycarbonylamino)propanoate

13. Phenacyl (2s)-2-(phenylmethoxycarbonylamino)propanoate

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₉NO₅
Molecular Weight	341.4 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	81.7
Heavy Atom Count	25
Formal Charge	0
Complexity	453
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 6530-41-2