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1007882-58-7 | 1-Pyrrolidinecarboxylic acid, 2-(1H-imidazol-2-yl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1007882-58-7 Catalog No: AG0002VI MDL No:MFCD16660093
Product Description
Catalog Number:
AG0002VI
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(1H-imidazol-2-yl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1007882-58-7
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
MDL Number:
MFCD16660093
IUPAC Name:
tert-butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-8-4-5-9(15)10-13-6-7-14-10/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChI Key:
GHITWFDHFOLATC-VIFPVBQESA-N
SMILES:
O=C(N1CCC[C@H]1c1ncc[nH]1)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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