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189321-65-1 | 1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester
CAS No: 189321-65-1 Catalog No: AG002I9K MDL No:MFCD02683116
Product Description
Catalog Number:
AG002I9K
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester
CAS Number:
189321-65-1
Molecular Formula:
C16H27N2O6-
Molecular Weight:
343.3954
MDL Number:
MFCD02683116
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
InChI:
InChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-16(11(19)20)7-9-18(10-8-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20)
InChI Key:
AFEAWYLBSVKOAY-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.408g/mol
Monoisotopic Mass:
344.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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