Home Carboxys 1,3-Pyrrolidinedicarboxylic acid, 4-[[(1R)-1-phenylethyl]aMino]-, 1-(1,1-diMethylethyl) 3-ethyl ester, hydrochloride (1

1,3-Pyrrolidinedicarboxylic acid, 4-[[(1R)-1-phenylethyl]aMino]-, 1-(1,1-diMethylethyl) 3-ethyl ester, hydrochloride (1

CAS No.:
267230-41-1
Catalog Number:
AG00BF0G
Molecular Formula:
C20H31ClN2O4
Molecular Weight:
398.9241
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Product Description
Catalog Number:
AG00BF0G
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-[[(1R)-1-phenylethyl]aMino]-, 1-(1,1-diMethylethyl) 3-ethyl ester, hydrochloride (1
CAS Number:
267230-41-1
Molecular Formula:
C20H31ClN2O4
Molecular Weight:
398.9241
MDL Number:
MFCD25372062
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 4-(1-phenylethylamino)pyrrolidine-1,3-dicarboxylate;hydrochloride
InChI:
InChI=1S/C20H30N2O4.ClH/c1-6-25-18(23)16-12-22(19(24)26-20(3,4)5)13-17(16)21-14(2)15-10-8-7-9-11-15;/h7-11,14,16-17,21H,6,12-13H2,1-5H3;1H
InChI Key:
PQKHNYWYVHDTJN-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CN(C[C@H]1N[C@@H](c1ccccc1)C)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.197g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
398.928g/mol
Monoisotopic Mass:
398.197g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
Properties