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706806-65-7 | (S);-1-(tert-Butoxycarbonyl);-2-(4-fluorobenzyl);pyrrolidine-2-carboxylic acid
CAS No: 706806-65-7 Catalog No: AG003OF5 MDL No:MFCD06797545
Product Description
Catalog Number:
AG003OF5
Chemical Name:
(S);-1-(tert-Butoxycarbonyl);-2-(4-fluorobenzyl);pyrrolidine-2-carboxylic acid
CAS Number:
706806-65-7
Molecular Formula:
C17H22FNO4
Molecular Weight:
323.3593
MDL Number:
MFCD06797545
IUPAC Name:
(2S)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22FNO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI Key:
AWTXCFLBYUGCEW-KRWDZBQOSA-N
SMILES:
Fc1ccc(cc1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
454
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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