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1217457-41-4 | 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 2-methyl 1-(phenylmethyl) ester, hydrochloride (1:1), (2R,4R)-
CAS No: 1217457-41-4 Catalog No: AG0015OR MDL No:
Product Description
Catalog Number:
AG0015OR
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 2-methyl 1-(phenylmethyl) ester, hydrochloride (1:1), (2R,4R)-
CAS Number:
1217457-41-4
Molecular Formula:
C14H19ClN2O4
Molecular Weight:
314.7647
IUPAC Name:
1-O-benzyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
InChI:
InChI=1S/C14H18N2O4.ClH/c1-19-13(17)12-7-11(15)8-16(12)14(18)20-9-10-5-3-2-4-6-10;/h2-6,11-12H,7-9,15H2,1H3;1H/t11-,12-;/m1./s1
InChI Key:
VLLRSJJKBDFSMT-MNMPKAIFSA-N
SMILES:
COC(=O)[C@H]1C[C@H](CN1C(=O)OCc1ccccc1)N.Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
314.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.766g/mol
Monoisotopic Mass:
314.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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