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113949-37-4 | L-Proline, 4-phenoxy-, (4S)-
CAS No: 113949-37-4 Catalog No: AG000A57 MDL No:
Product Description
Catalog Number:
AG000A57
Chemical Name:
L-Proline, 4-phenoxy-, (4S)-
CAS Number:
113949-37-4
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
(2S,4S)-4-phenoxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO3/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10-/m0/s1
InChI Key:
RWSHAZYNUOFZMI-UWVGGRQHSA-N
SMILES:
OC(=O)[C@H]1NC[C@H](C1)Oc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Part 2: Design, synthesis and evaluation of hydroxyproline-derived α2δ ligands. | Bioorganic & medicinal chemistry letters 20110615 |
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