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1217622-63-3 | 1-Pyrrolidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, phenylmethyl ester, (3R)-
CAS No: 1217622-63-3 Catalog No: AG0015U9 MDL No:MFCD09038769
Product Description
Catalog Number:
AG0015U9
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, phenylmethyl ester, (3R)-
CAS Number:
1217622-63-3
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
MDL Number:
MFCD09038769
IUPAC Name:
benzyl (3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)19-11-15-9-10-20(12-15)17(22)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChI Key:
XSSINUHYHRQZEB-OAHLLOKOSA-N
SMILES:
O=C(OC(C)(C)C)NC[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
334.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.416g/mol
Monoisotopic Mass:
334.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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