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1217837-34-7 | 1,2-Pyrrolidinedicarboxylic acid, 2-(3-phenylpropyl)-, 1-(1,1-dimethylethyl) ester, (2R)-
CAS No: 1217837-34-7 Catalog No: AG00160P MDL No:MFCD06659213
Product Description
Catalog Number:
AG00160P
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-(3-phenylpropyl)-, 1-(1,1-dimethylethyl) ester, (2R)-
CAS Number:
1217837-34-7
Molecular Formula:
C19H26NO4-
Molecular Weight:
332.4140
MDL Number:
MFCD06659213
IUPAC Name:
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C19H27NO4/c1-18(2,3)24-17(23)20-14-8-13-19(20,16(21)22)12-7-11-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3,(H,21,22)/t19-/m1/s1
InChI Key:
ZMZPCACRGQMUGK-LJQANCHMSA-N
SMILES:
O=C(N1CCC[C@]1(CCCc1ccccc1)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
333.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.428g/mol
Monoisotopic Mass:
333.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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