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1217635-13-6 | 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217635-13-6 Catalog No: AG0015V4 MDL No:MFCD06659155
Product Description
Catalog Number:
AG0015V4
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[(2-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217635-13-6
Molecular Formula:
C17H21FNO4-
Molecular Weight:
322.3513
MDL Number:
MFCD06659155
IUPAC Name:
(2S)-2-[(2-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22FNO4/c1-16(2,3)23-15(22)19-10-6-9-17(19,14(20)21)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI Key:
JHRPTZRVQXTAPK-KRWDZBQOSA-N
SMILES:
O=C(N1CCC[C@]1(Cc1ccccc1F)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.364g/mol
Monoisotopic Mass:
323.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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