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1018818-04-6 | 1,2-Pyrrolidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (2R,4S)-
CAS No: 1018818-04-6 Catalog No: AG0005TM MDL No:MFCD23105992
Product Description
Catalog Number:
AG0005TM
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (2R,4S)-
CAS Number:
1018818-04-6
Molecular Formula:
C11H18NO4-
Molecular Weight:
228.2649
MDL Number:
MFCD23105992
IUPAC Name:
(2R,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m0/s1
InChI Key:
MXKSXPYZNXUHEZ-JGVFFNPUSA-N
SMILES:
C[C@@H]1CN([C@H](C1)C(=O)[O-])C(=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:
1.7
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