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90741-27-8 | (S)-tert-Butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CAS No: 90741-27-8 Catalog No: AG0039VJ MDL No:MFCD11975828
Product Description
Catalog Number:
AG0039VJ
Chemical Name:
(S)-tert-Butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CAS Number:
90741-27-8
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD11975828
IUPAC Name:
tert-butyl (2S)-1-benzyl-5-oxopyrrolidine-2-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)13-9-10-14(18)17(13)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChI Key:
RDRWNJRTLCECMB-ZDUSSCGKSA-N
SMILES:
O=C([C@@H]1CCC(=O)N1Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| alpha-Amino acid derivatives as proton pump inhibitors and potent anti-ulcer agents. | European journal of medicinal chemistry 20070301 |
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