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189321-66-2

189321-66-2 | 2,4-Morpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester

CAS No: 189321-66-2 Catalog No: AG002I9J MDL No:MFCD01321006

Product Description

Catalog Number:
AG002I9J
Chemical Name:
2,4-Morpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester
CAS Number:
189321-66-2
Molecular Formula:
C10H16NO5-
Molecular Weight:
230.2377
MDL Number:
MFCD01321006
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChI Key:
LGWMTRPJZFEWCX-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1OCCN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Concise synthesis of (S)-N-BOC-2-hydroxymethylmorpholine and (S)-N-BOC-morpholine-2-carboxylic acid. The Journal of organic chemistry 20080502

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