Home Carbonyls (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexylbutanoic acid

(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexylbutanoic acid

CAS No.:
704916-75-6
Catalog Number:
AG01DWM4
Molecular Formula:
C15H27NO4
Molecular Weight:
285.3792
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Product Description
Catalog Number:
AG01DWM4
Chemical Name:
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexylbutanoic acid
CAS Number:
704916-75-6
Molecular Formula:
C15H27NO4
Molecular Weight:
285.3792
MDL Number:
MFCD29077649
IUPAC Name:
4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
FIBAFRJLUXGPPW-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H](NC(=O)OC(C)(C)C)CC1CCCCC1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.194g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.384g/mol
Monoisotopic Mass:
285.194g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties