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173340-19-7 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-[(1S)-1-phenylethyl]-, (3S)-
CAS No: 173340-19-7 Catalog No: AG001YT1 MDL No:MFCD03427553
Product Description
Catalog Number:
AG001YT1
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-[(1S)-1-phenylethyl]-, (3S)-
CAS Number:
173340-19-7
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD03427553
IUPAC Name:
(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11-/m0/s1
InChI Key:
CFGKWSDAMXTRHE-ONGXEEELSA-N
SMILES:
C[C@H](N1C[C@H](CC1=O)C(=O)O)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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