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Home > Pyridines > 959581-01-2
959581-01-2 | Boc-(R)-gamma-(4-pyridinylmethyl)-L-proline
CAS No: 959581-01-2 Catalog No: AG00IJN3 MDL No:MFCD06659248
Product Description
Catalog Number:
AG00IJN3
Chemical Name:
Boc-(R)-gamma-(4-pyridinylmethyl)-L-proline
CAS Number:
959581-01-2
Molecular Formula:
C16H22N2O4
Molecular Weight:
306.3569
MDL Number:
MFCD06659248
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-12(9-13(18)14(19)20)8-11-4-6-17-7-5-11/h4-7,12-13H,8-10H2,1-3H3,(H,19,20)/t12-,13+/m1/s1
InChI Key:
VMQFAQIIPUWOGG-OLZOCXBDSA-N
SMILES:
O=C(N1C[C@@H](C[C@H]1C(=O)O)Cc1ccncc1)OC(C)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
306.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.362g/mol
Monoisotopic Mass:
306.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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