Home Carboxys 3,4-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, monoethyl ester,(3R,4R)-rel-

3,4-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, monoethyl ester,(3R,4R)-rel-

CAS No.:
895243-39-7
Catalog Number:
AG00IFR7
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
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Product Description
Catalog Number:
AG00IFR7
Chemical Name:
3,4-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, monoethyl ester,(3R,4R)-rel-
CAS Number:
895243-39-7
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD13195113
IUPAC Name:
(3R,4R)-1-benzyl-4-ethoxycarbonylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C15H19NO4/c1-2-20-15(19)13-10-16(9-12(13)14(17)18)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChI Key:
OBPNUEHVTDHIPJ-STQMWFEESA-N
SMILES:
CCOC(=O)[C@H]1CN(C[C@@H]1C(=O)O)Cc1ccccc1
Properties
Complexity:
352  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties