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102508-03-2 | 2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, 2,5-dimethyl ester, (2R,5S)-rel-
CAS No: 102508-03-2 Catalog No: AG0007M0 MDL No:
Product Description
Catalog Number:
AG0007M0
Chemical Name:
2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, 2,5-dimethyl ester, (2R,5S)-rel-
CAS Number:
102508-03-2
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
dimethyl (2S,5R)-1-benzylpyrrolidine-2,5-dicarboxylate
InChI:
InChI=1S/C15H19NO4/c1-19-14(17)12-8-9-13(15(18)20-2)16(12)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+
InChI Key:
VOUOTBJQQLQSCY-BETUJISGSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](N1Cc1ccccc1)C(=O)OC
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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