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1245645-92-4 | 3,4-Pyrrolidinedicarboxylic acid, 1-[(4-methoxyphenyl)methyl]-, 3-methyl ester, (3R,4S)-rel-
CAS No: 1245645-92-4 Catalog No: AG000MAH MDL No:
Product Description
Catalog Number:
AG000MAH
Chemical Name:
3,4-Pyrrolidinedicarboxylic acid, 1-[(4-methoxyphenyl)methyl]-, 3-methyl ester, (3R,4S)-rel-
CAS Number:
1245645-92-4
Molecular Formula:
C15H18NO5-
Molecular Weight:
292.3071
IUPAC Name:
(3R,4S)-4-methoxycarbonyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C15H19NO5/c1-20-11-5-3-10(4-6-11)7-16-8-12(14(17)18)13(9-16)15(19)21-2/h3-6,12-13H,7-9H2,1-2H3,(H,17,18)/t12-,13+/m0/s1
InChI Key:
OXYAGCGUZQOARP-QWHCGFSZSA-N
SMILES:
COc1ccc(cc1)CN1C[C@@H]([C@@H](C1)C(=O)[O-])C(=O)OC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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