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130930-28-8 | 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 2-ethyl 1-(phenylmethyl) ester, (2R-trans)- (9CI)
CAS No: 130930-28-8 Catalog No: AG000V42 MDL No:
Product Description
Catalog Number:
AG000V42
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 2-ethyl 1-(phenylmethyl) ester, (2R-trans)- (9CI)
CAS Number:
130930-28-8
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
IUPAC Name:
1-O-benzyl 2-O-ethyl (4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C15H19NO5/c1-2-20-14(18)13-8-12(17)9-16(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8-10H2,1H3/t12-,13?/m0/s1
InChI Key:
FEPRPINUVNZMRY-UEWDXFNNSA-N
SMILES:
CCOC(=O)[C@H]1C[C@@H](CN1C(=O)OCc1ccccc1)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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