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187752-72-3 | 1,2-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (2R,4S)-rel-
CAS No: 187752-72-3 Catalog No: AG000L48 MDL No:MFCD08752604
Product Description
Catalog Number:
AG000L48
Chemical Name:
1,2-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (2R,4S)-rel-
CAS Number:
187752-72-3
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
MDL Number:
MFCD08752604
IUPAC Name:
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-8-5-6-13(9(7-8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m1/s1
InChI Key:
LTNNUMKAWAGPIS-BDAKNGLRSA-N
SMILES:
C[C@H]1CCN([C@H](C1)C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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
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