Home Carboxys 1-(tert-Butoxycarbonyl)-3-ethyl-3-piperidinecarboxylic acid

1-(tert-Butoxycarbonyl)-3-ethyl-3-piperidinecarboxylic acid

CAS No.:
887591-65-3
Catalog Number:
AG003E19
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
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Product Description
Catalog Number:
AG003E19
Chemical Name:
1-(tert-Butoxycarbonyl)-3-ethyl-3-piperidinecarboxylic acid
CAS Number:
887591-65-3
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD12406586
IUPAC Name:
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-5-13(10(15)16)7-6-8-14(9-13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)
InChI Key:
NKZAZUYDWWUQBL-UHFFFAOYSA-N
SMILES:
CCC1(CCCN(C1)C(=O)OC(C)(C)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:
1  
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties