Home Carboxys 1-[(tert-butoxy)carbonyl]-decahydroquinoline-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-decahydroquinoline-2-carboxylic acid

CAS No.:
253136-30-0
Catalog Number:
AG01EKE9
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
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Product Description
Catalog Number:
AG01EKE9
Chemical Name:
1-[(tert-butoxy)carbonyl]-decahydroquinoline-2-carboxylic acid
CAS Number:
253136-30-0
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
MDL Number:
MFCD21776307
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
InChI:
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChI Key:
GHHISGFNVINWNL-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCCCC2CCC1C(=O)O)OC(C)(C)C
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties