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150323-35-6 | 1-Piperazinecarboxylic acid, 3-[[(1,1-dimethylethyl)amino]carbonyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 150323-35-6 Catalog No: AG001MII MDL No:MFCD02682987
Product Description
Catalog Number:
AG001MII
Chemical Name:
1-Piperazinecarboxylic acid, 3-[[(1,1-dimethylethyl)amino]carbonyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
150323-35-6
Molecular Formula:
C14H27N3O3
Molecular Weight:
285.3825
MDL Number:
MFCD02682987
IUPAC Name:
tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,18)/t10-/m0/s1
InChI Key:
NASIOHFAYPRIAC-JTQLQIEISA-N
SMILES:
O=C(N1CCN[C@@H](C1)C(=O)NC(C)(C)C)OC(C)(C)C
UNII:
30XTH596WQ
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.388g/mol
Monoisotopic Mass:
285.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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