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146622-06-2 | L-Proline, 1-[(2R)-1-oxo-2-phenylpropyl]-
CAS No: 146622-06-2 Catalog No: AG001E6T MDL No:
Product Description
Catalog Number:
AG001E6T
Chemical Name:
L-Proline, 1-[(2R)-1-oxo-2-phenylpropyl]-
CAS Number:
146622-06-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)13(16)15-9-5-8-12(15)14(17)18/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18)/t10-,12+/m1/s1
InChI Key:
WBSGGZPWSXYXIR-PWSUYJOCSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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