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1314419-65-2 | 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R)-
CAS No: 1314419-65-2 Catalog No: AG000W6X MDL No:MFCD19442798
Product Description
Catalog Number:
AG000W6X
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R)-
CAS Number:
1314419-65-2
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD19442798
IUPAC Name:
1-O-tert-butyl 3-O-ethyl (3R)-pyrrolidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChI Key:
PKDQVUYUWUHNMG-SECBINFHSA-N
SMILES:
CCOC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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