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1196886-62-0 | 1,2-Pyrrolidinedicarboxylic acid, 2-[(3-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1196886-62-0 Catalog No: AG000PFZ MDL No:MFCD06659241
Product Description
Catalog Number:
AG000PFZ
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[(3-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1196886-62-0
Molecular Formula:
C17H21FNO4-
Molecular Weight:
322.3513
MDL Number:
MFCD06659241
IUPAC Name:
(2S)-2-[(3-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22FNO4/c1-16(2,3)23-15(22)19-9-5-8-17(19,14(20)21)11-12-6-4-7-13(18)10-12/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI Key:
ZOWFREFSRRIXOC-KRWDZBQOSA-N
SMILES:
Fc1cccc(c1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)[O-]
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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