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1624261-26-2 | 1-Pyrrolidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, phenylmethyl ester
CAS No: 1624261-26-2 Catalog No: AG001T50 MDL No:
Product Description
Catalog Number:
AG001T50
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, phenylmethyl ester
CAS Number:
1624261-26-2
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
IUPAC Name:
benzyl 3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)20(4)12-16-10-11-21(13-16)18(23)24-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChI Key:
HYICAVSKXRSGFI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CNCC1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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