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127095-92-5 | Cyclohexanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
CAS No: 127095-92-5 Catalog No: AG000WNX MDL No:MFCD00133627
Product Description
Catalog Number:
AG000WNX
Chemical Name:
Cyclohexanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
CAS Number:
127095-92-5
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD00133627
IUPAC Name:
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChI Key:
MSZQAQJBXGTSHP-LLVKDONJSA-N
SMILES:
OC(=O)[C@H](NC(=O)OC(C)(C)C)CC1CCCCC1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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