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160141-21-9 | 4-Morpholinecarboxylic acid, 3-[(1S)-1-methylpropyl]-5-oxo-, 1,1-dimethylethyl ester, (3S)-
CAS No: 160141-21-9 Catalog No: AG001ROX MDL No:
Product Description
Catalog Number:
AG001ROX
Chemical Name:
4-Morpholinecarboxylic acid, 3-[(1S)-1-methylpropyl]-5-oxo-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
160141-21-9
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
tert-butyl (3S)-3-butan-2-yl-5-oxomorpholine-4-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-6-9(2)10-7-17-8-11(15)14(10)12(16)18-13(3,4)5/h9-10H,6-8H2,1-5H3/t9?,10-/m1/s1
InChI Key:
MPVMIOUSVTTYEW-QVDQXJPCSA-N
SMILES:
CC[C@@H]([C@H]1COCC(=O)N1C(=O)OC(C)(C)C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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