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1001353-87-2 | 1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1001353-87-2 Catalog No: AG00011V MDL No:MFCD11040193
Product Description
Catalog Number:
AG00011V
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1001353-87-2
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
MDL Number:
MFCD11040193
IUPAC Name:
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-12(4,5)6-8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1
InChI Key:
ACHKRIQLSCPKKK-QMMMGPOBSA-N
SMILES:
[O-]C(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
330
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:
1
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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