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1217850-83-3 | 1-Pyrrolidinecarboxylic acid, 3-(2-pyridinylthio)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1217850-83-3 Catalog No: AG00160A MDL No:MFCD11054134
Product Description
Catalog Number:
AG00160A
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(2-pyridinylthio)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1217850-83-3
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
MDL Number:
MFCD11054134
IUPAC Name:
tert-butyl (3R)-3-pyridin-2-ylsulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2S/c1-14(2,3)18-13(17)16-9-7-11(10-16)19-12-6-4-5-8-15-12/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m1/s1
InChI Key:
DTBLJARRVUJNIE-LLVKDONJSA-N
SMILES:
O=C(N1CC[C@H](C1)Sc1ccccn1)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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