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1253791-53-5 | 1,3-Pyrrolidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (3R,4R)-rel-
CAS No: 1253791-53-5 Catalog No: AG000NKN MDL No:MFCD02179038
Product Description
Catalog Number:
AG000NKN
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (3R,4R)-rel-
CAS Number:
1253791-53-5
Molecular Formula:
C11H18NO4-
Molecular Weight:
228.2649
MDL Number:
MFCD02179038
IUPAC Name:
(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-7-5-12(6-8(7)9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChI Key:
IPLCSDCAWNDONJ-YUMQZZPRSA-N
SMILES:
O=C(N1C[C@@H]([C@H](C1)C)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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