Home Carboxys 2-{[(tert-butoxy)carbonyl]amino}-1-methylcyclohexane-1-carboxylic acid

2-{[(tert-butoxy)carbonyl]amino}-1-methylcyclohexane-1-carboxylic acid

CAS No.:
1432679-44-1
Catalog Number:
AG01A4FU
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
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Product Description
Catalog Number:
AG01A4FU
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-1-methylcyclohexane-1-carboxylic acid
CAS Number:
1432679-44-1
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD23701867
IUPAC Name:
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9-7-5-6-8-13(9,4)10(15)16/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChI Key:
IXJBTLDTKNSTOS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCCC1(C)C(=O)O
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties