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1392745-22-0 | Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, ethyl ester, (1R,3S,4R)-
CAS No: 1392745-22-0 Catalog No: AG001AMO MDL No:
Product Description
Catalog Number:
AG001AMO
Chemical Name:
Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, ethyl ester, (1R,3S,4R)-
CAS Number:
1392745-22-0
Molecular Formula:
C14H25NO5
Molecular Weight:
287.3520
IUPAC Name:
ethyl (1R,3S,4R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
InChI:
InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-11(16)10(8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11-/m1/s1
InChI Key:
YFFMJGAVWORNIZ-OUAUKWLOSA-N
SMILES:
CCOC(=O)[C@@H]1CC[C@H]([C@H](C1)NC(=O)OC(C)(C)C)O
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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