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1392745-47-9 | Cyclohexanecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, ethyl ester, (1S,3R,4R)-
CAS No: 1392745-47-9 Catalog No: AG001AML MDL No:MFCD27987360
Product Description
Catalog Number:
AG001AML
Chemical Name:
Cyclohexanecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, ethyl ester, (1S,3R,4R)-
CAS Number:
1392745-47-9
Molecular Formula:
C14H25NO5
Molecular Weight:
287.3520
MDL Number:
MFCD27987360
IUPAC Name:
ethyl (1S,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
InChI:
InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-10(11(16)8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11+/m0/s1
InChI Key:
JOOLXBLTNBWCNP-HBNTYKKESA-N
SMILES:
CCOC(=O)[C@H]1CC[C@H]([C@@H](C1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
287.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.356g/mol
Monoisotopic Mass:
287.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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