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1363382-79-9 | 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS No: 1363382-79-9 Catalog No: AG0011R0 MDL No:MFCD18207795
Product Description
Catalog Number:
AG0011R0
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS Number:
1363382-79-9
Molecular Formula:
C9H17FN2O2
Molecular Weight:
204.2419
MDL Number:
MFCD18207795
IUPAC Name:
tert-butyl (3R,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7-/m1/s1
InChI Key:
DXQXHFOCKKIWJL-RNFRBKRXSA-N
SMILES:
F[C@@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
204.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.245g/mol
Monoisotopic Mass:
204.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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