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198646-60-5 | 1,2-Piperidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 198646-60-5 Catalog No: AG002BNV MDL No:MFCD01861764
Product Description
Catalog Number:
AG002BNV
Chemical Name:
1,2-Piperidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
198646-60-5
Molecular Formula:
C11H16NO5-
Molecular Weight:
242.2484
MDL Number:
MFCD01861764
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
InChI:
InChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1
InChI Key:
GPBCBXYUAJQMQM-QMMMGPOBSA-N
SMILES:
O=C1CCN([C@@H](C1)C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.259g/mol
Monoisotopic Mass:
243.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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