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307531-88-0 | 1-Pyrrolidinecarboxylic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 307531-88-0 Catalog No: AG00316M MDL No:MFCD07369742
Product Description
Catalog Number:
AG00316M
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
307531-88-0
Molecular Formula:
C24H28N2O4
Molecular Weight:
408.4901
MDL Number:
MFCD07369742
IUPAC Name:
tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C24H28N2O4/c1-24(2,3)30-23(28)26-13-12-16(14-26)25-22(27)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,25,27)/t16-/m0/s1
InChI Key:
WTCWZRXHMNBOCY-INIZCTEOSA-N
SMILES:
O=C(N[C@H]1CCN(C1)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
408.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.498g/mol
Monoisotopic Mass:
408.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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