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1807938-50-6 | 3,4-Morpholinedicarboxylic acid, 2-methyl-, 4-(1,1-dimethylethyl) ester, (2R,3S)-
CAS No: 1807938-50-6 Catalog No: AG0022CE MDL No:MFCD22394660
Product Description
Catalog Number:
AG0022CE
Chemical Name:
3,4-Morpholinedicarboxylic acid, 2-methyl-, 4-(1,1-dimethylethyl) ester, (2R,3S)-
CAS Number:
1807938-50-6
Molecular Formula:
C11H18NO5-
Molecular Weight:
244.2643
MDL Number:
MFCD22394660
IUPAC Name:
(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
InChI:
InChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1
InChI Key:
XUJUXKBCUVWHIX-SFYZADRCSA-N
SMILES:
[O-]C(=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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